[DFTB-Plus-User] Regarding PDOS Calculations
Jan M. Knaup
Jan.Knaup at bccms.uni-bremen.de
Mon May 13 11:34:32 CEST 2013
Dear Mahesh,
I am not sure I understand you correctly.
> In one reference paper, the authors found the clear variation in LDOS of
CuPc and C60 using GGA-PBE with VASP as:
It does not appear very surprising, that a transition metal complex
containing amide groups would exhibit a distinctly different electronic
structure from a Fullerene, which is closely related to conjugated carbon
sheets.
> I want to get such clear variation in PDOS of pentacene and C60. Please
let me know if you have any idea about such result, I mean how can we get
such result using DFTB+.
If your question is aimed at which more precise method might reveal effects
that are not included in the DFTB results, I would suggest either time
dependent DFT (TD-DFT) or TD-DFTB or methods which can take into account
excitonic effects, such as GW or BSE, depending on the kind of excitation
you are interested in. Unfortunately, I am not an expert in these methods.
However, regarding the PDOS plot you sent in your last mail, are you sure
that the energy scales match between your calculation and the reference
results? In the reference, C60 has a clear HOMO-LUMO gap of about 3.5 eV,
while no such gap is present in your results. A quick calculation of an
isolated C60 reveals a DOS which is quite similar to the C60 lines in your
reference calculations, while the "C60" line in from your calculation shows
almost no similarity.
Things you should check include:
Is your geometry optimized?
Are your lattice vectors optimized or at least realistic?
Where is the Fermi energy in your PDOS plot?
Are you absolutely sure you selected the right atoms? Comparing your PDOS
plots to those from your reference, the "C60" line looks like it was mushed
together with something that has bands, while the reference clearly shows a
discrete, molecule like spectrum.
Best,
Jan
Jan M. Knaup | Fon +49-(0)421-218-62351
Dipl. Phys. Dr. rer. nat. | Fax +49-(0)421-218-62770
Universität Bremen - BCCMS |
Am Fallturm 1 | Jan.Knaup at bccms.uni-bremen.de
28359 Bremen | JanKnaup at gmail.com
Germany | www.bccms.uni-bremen.de
2013/5/10 Bhatt, Mahesh <M.D.Bhatt at warwick.ac.uk>
> hi,
>
> I could not paste image here, so I am attching here a ppt file.
>
> Regards
> Mahesh
> ------------------------------
> *From:* dftb-plus-user-bounces at dftb-plus.info [
> dftb-plus-user-bounces at dftb-plus.info] on behalf of Bhatt, Mahesh [
> M.D.Bhatt at warwick.ac.uk]
> *Sent:* Friday, May 10, 2013 3:48 PM
> *To:* User list for DFTB+ related questions
> *Subject:* Re: [DFTB-Plus-User] Regarding PDOS Calculations
>
> Dear Jan,
>
> Thank you for your reply. I already used all schemes you suggested. I got
> very slight variation in PDOS of pentacene and C60, when I used gaussian
> broadening width 0.2 eV as shown below:
>
>
>
> In one reference paper, the authors found the clear variation in LDOS of
> CuPc and C60 using GGA-PBE with VASP as:
>
> I want to get such clear variation in PDOS of pentacene and C60. Please
> let me know if you have any idea about such result, I mean how can we get
> such result using DFTB+.
>
> Reagrds
> Mahesh
>
> ------------------------------
> *From:* dftb-plus-user-bounces at dftb-plus.info [
> dftb-plus-user-bounces at dftb-plus.info] on behalf of Jan M. Knaup [
> Jan.Knaup at bccms.uni-bremen.de]
> *Sent:* Friday, May 10, 2013 11:07 AM
> *To:* User list for DFTB+ related questions
> *Subject:* Re: [DFTB-Plus-User] Regarding PDOS Calculations
>
> Dear Mahesh,
>
> your input structure contains 6 C60 molecures and 18 pentacenes. So,
> since your input geometry contains C and H atoms, you also have to specify
> angular momentum and SK files for both elements.
> To analyze different parts of your input geometry at the same time, you
> can specify as many region blocks in the ProjectStates section as you need.
> In that case I would strongly recommend using easily distinguishable labels
> for the different regions.
>
> In your input file you specify two regions, one region containing all
> atoms in the C60 molecules and one region containing every C atom in the
> geometry, i.e. all carbons in C60 and all carbons in pentacene. Are you
> sure that your PDOS does not vary at all between region1 and region2 ?
> Maybe it helps to clarify that the regions you specify in the
> ProjectStates section are completely independent of each other.
>
> Best,
>
> Jan
>
> Jan M. Knaup | Fon +49-(0)421-218-62351
> Dipl. Phys. Dr. rer. nat. | Fax +49-(0)421-218-62770
> Universität Bremen - BCCMS |
> Am Fallturm 1 | Jan.Knaup at bccms.uni-bremen.de
> 28359 Bremen | JanKnaup at gmail.com
> Germany | www.bccms.uni-bremen.de
>
>
> 2013/5/8 Bhatt, Mahesh <M.D.Bhatt at warwick.ac.uk>
>
>> Hi all,
>>
>> I tried to calculate the DOS projected on pentacene and C60; but I am
>> confused with some input parameters:
>>
>> My input is as follows:
>>
>> Geometry = GenFormat {
>> 1224 S
>> C H
>> 1 1 -3.2502666 -1.70540032 -2.49477122
>> 2 1 -3.50216983 -2.31774597 -1.24200601
>> 3 1 -4.16890684 -3.60370254 -1.20569683
>> 4 1 -4.55355447 -4.21702292 -2.42381109
>> 5 1 -3.11810702 -1.70343484 -0.03440192
>> 6 1 -4.42096085 -4.21700572 0.03664543
>> 7 1 -3.36902815 -2.31761922 1.20782306
>> 8 1 -4.03553421 -3.60334803 1.24418026
>> 9 1 -2.98417999 -1.70485149 2.42705398
>> 10 1 -3.2385531 -2.31833991 3.65784349
>> 11 1 -3.90309128 -3.60021461 3.69407005
>> 12 1 -4.28606826 -4.2158254 2.49809028
>> 13 1 -2.85612827 -1.7037552 4.89565558
>> 14 1 -4.15402415 -4.21171299 4.96649787
>> 15 1 -3.1168224 -2.32256425 6.09211007
>> 16 1 -3.77119247 -3.58945966 6.12778216
>> 17 1 -3.38410309 -1.70829409 -4.96112745
>> 18 1 -3.63466105 -2.32096365 -3.69002963
>> 19 1 -4.29997504 -3.60215448 -3.65383746
>> 20 1 -4.6855766 -4.21592547 -4.89012289
>> 21 1 -4.42668281 -3.59525387 -6.08619031
>> 22 1 -3.77053703 -2.32952441 -6.1219627
>> 23 1 -8.31607959 -4.66003899 -2.42449517
>> 24 1 -7.93536343 -5.27508701 -1.20605384
>> 25 1 -7.27521448 -6.56446364 -1.24168193
>> 26 1 -7.02700043 -7.17902739 -2.49413504
>> 27 1 -8.18473118 -4.65980884 0.03589954
>> 28 1 -6.89429707 -7.17982523 -0.03365955
>> 29 1 -7.80246521 -5.27475723 1.24379059
>> 30 1 -7.14233052 -6.5637977 1.2082259
>> 31 1 -8.05011412 -4.66039244 2.49732523
>> 32 1 -7.67066336 -5.27725776 3.69372244
>> 33 1 -7.01200515 -6.56219016 3.6582494
>> 34 1 -6.76068814 -7.17784073 2.42785092
>> 35 1 -7.91991075 -4.66409609 4.96576415
>> 36 1 -6.63185684 -7.17715977 4.89648639
>> 37 1 -7.54001993 -5.28728307 6.12750036
>> 38 1 -6.88994706 -6.55641113 6.09251318
>> 39 1 -8.44692985 -4.66151417 -4.89106499
>> 40 1 -8.06567245 -5.27684569 -3.65421034
>> 41 1 -7.40800388 -6.562005 -3.68972191
>> 42 1 -7.16122832 -7.177308 -4.96029115
>> 43 1 -7.54362324 -6.55446214 -6.12157873
>> 44 1 -8.19169174 -5.28455007 -6.08671076
>> 45 1 -3.25026603 4.21460046 -2.49476966
>> 46 1 -3.5021685 3.60225532 -1.2420043
>> 47 1 -4.16890521 2.3162986 -1.2056959
>> 48 1 -4.55355387 1.70297827 -2.42381044
>> 49 1 -3.11810427 4.21656799 -0.03440088
>> 50 1 -4.42095731 1.70299725 0.03664731
>> 51 1 -3.36902389 3.60238813 1.20782615
>> 52 1 -4.03553133 2.3166598 1.24418064
>> 53 1 -2.98417453 4.21516367 2.42705556
>> 54 1 -3.23855132 3.60168636 3.65785052
>> 55 1 -3.90309645 2.31981562 3.69406688
>> 56 1 -4.28606991 1.70419296 2.49809257
>> 57 1 -2.85612361 4.21626686 4.89566928
>> 58 1 -4.15399854 1.70830521 4.96648938
>> 59 1 -3.1167815 3.59744336 6.09212848
>> 60 1 -3.77112023 2.33052791 6.12777135
>> 61 1 -3.3841027 4.2117061 -4.96112613
>> 62 1 -3.6346605 3.59903694 -3.69002815
>> 63 1 -4.29997467 2.31784616 -3.65383719
>> 64 1 -4.68557624 1.704075 -4.89012299
>> 65 1 -4.42668244 2.32474645 -6.08619052
>> 66 1 -3.77053658 3.59047593 -6.12196162
>> 67 1 -8.31607035 1.25994753 -2.42445468
>> 68 1 -7.9353554 0.6449027 -1.20599813
>> 69 1 -7.27520561 -0.6444735 -1.24161256
>> 70 1 -7.02699906 -1.25902414 -2.49408402
>> 71 1 -8.18471222 1.2601594 0.03597128
>> 72 1 -6.89428975 -1.25983147 -0.03357367
>> 73 1 -7.80244 0.64520434 1.24387294
>> 74 1 -7.14230423 -0.64383584 1.20834546
>> 75 1 -8.05006534 1.25953705 2.49742463
>> 76 1 -7.67060893 0.64267715 3.69383428
>> 77 1 -7.01194539 -0.64226303 3.65845391
>> 78 1 -6.76065792 -1.2578769 2.42800214
>> 79 1 -7.91990032 1.25587144 4.96584565
>> 80 1 -6.63182708 -1.25718199 4.89678347
>> 81 1 -7.54007346 0.63272364 6.1276186
>> 82 1 -6.88997201 -0.63639636 6.09282446
>> 83 1 -8.44692592 1.25848029 -4.89104651
>> 84 1 -8.06566903 0.64315109 -3.65418066
>> 85 1 -7.4079997 -0.64200905 -3.68968317
>> 86 1 -7.16122786 -1.25730604 -4.96026403
>> 87 1 -7.54362089 -0.63446444 -6.12155816
>> 88 1 -8.19169021 0.63544855 -6.08669747
>> 89 1 -3.25026653 10.13460018 -2.49477349
>> 90 1 -3.50216946 9.52225389 -1.24200914
>> 91 1 -4.16890582 8.23629694 -1.20570016
>> 92 1 -4.55355485 7.6229768 -2.42381346
>> 93 1 -3.11810573 10.13656543 -0.03440586
>> 94 1 -4.42095891 7.62299265 0.0366413
>> 95 1 -3.36902803 9.52238119 1.20781819
>> 96 1 -4.03553596 8.23665323 1.24417507
>> 97 1 -2.98418242 10.13515171 2.42704813
>> 98 1 -3.23856759 9.52166856 3.65783688
>> 99 1 -3.90311622 8.2397997 3.6940628
>> 100 1 -4.28608271 7.62418174 2.49808457
>> 101 1 -2.85614009 10.13625144 4.89564818
>> 102 1 -4.15400145 7.62827621 4.96648623
>> 103 1 -3.11678298 9.51741583 6.09209944
>> 104 1 -3.7710943 8.25048934 6.12776572
>> 105 1 -3.38410283 10.13170604 -4.96112861
>> 106 1 -3.63466101 9.51903633 -3.69003137
>> 107 1 -4.29997517 8.23784564 -3.65383928
>> 108 1 -4.68557664 7.62407439 -4.89012413
>> 109 1 -4.42668263 8.24474614 -6.08619127
>> 110 1 -3.77053687 9.51047554 -6.12196359
>> 111 1 -8.31608046 7.17996181 -2.42450212
>> 112 1 -7.93536411 6.56491204 -1.20606326
>> 113 1 -7.27521476 5.27553546 -1.24169111
>> 114 1 -7.02699998 4.66097086 -2.49414166
>> 115 1 -8.18473303 7.18019086 0.03588835
>> 116 1 -6.89429642 4.66017092 -0.03367153
>> 117 1 -7.80246318 6.5652398 1.24377517
>> 118 1 -7.14232934 5.27619867 1.20821153
>> 119 1 -8.05010676 7.17960604 2.49730733
>> 120 1 -7.67064893 6.56273632 3.69369721
>> 121 1 -7.01199557 5.27780174 3.65822897
>> 122 1 -6.7606839 4.66215043 2.42783226
>> 123 1 -7.91992051 7.1758881 4.9657332
>> 124 1 -6.63184554 4.66282835 4.89646306
>> 125 1 -7.54006046 6.55268023 6.12746328
>> 126 1 -6.88995798 5.28356943 6.09248756
>> 127 1 -8.44693031 7.17848621 -4.8910686
>> 128 1 -8.06567255 6.56315395 -3.65421568
>> 129 1 -7.40800411 5.27799471 -3.68972664
>> 130 1 -7.16122824 4.66269125 -4.96029412
>> 131 1 -7.54362339 5.28553774 -6.1215808
>> 132 1 -8.19169185 6.55544966 -6.08671348
>> 133 1 4.28973068 -1.70541554 -2.49468399
>> 134 1 4.03783732 -2.31774528 -1.24188701
>> 135 1 3.37109997 -3.60370092 -1.20557569
>> 136 1 2.98645916 -4.21700595 -2.4237237
>> 137 1 4.42189032 -1.70345576 -0.03425231
>> 138 1 3.11906044 -4.2169772 0.03679934
>> 139 1 4.17098551 -2.31761235 1.20801694
>> 140 1 3.50448113 -3.60333987 1.24437695
>> 141 1 4.55582526 -1.70486981 2.42729156
>> 142 1 4.30149089 -2.31830684 3.65815237
>> 143 1 3.6369523 -3.60019835 3.69437762
>> 144 1 3.25398063 -4.21577647 2.49833857
>> 145 1 4.68392396 -1.70371273 4.89601378
>> 146 1 3.38600367 -4.21166241 4.9668644
>> 147 1 4.42321169 -2.32249555 6.09251833
>> 148 1 3.76880441 -3.58936669 6.12817303
>> 149 1 4.15589573 -1.70830089 -4.96108408
>> 150 1 3.90534312 -2.32096235 -3.68996475
>> 151 1 3.24002846 -3.60215477 -3.65377258
>> 152 1 2.8544297 -4.21591788 -4.89008064
>> 153 1 3.11331864 -3.59525445 -6.08615932
>> 154 1 3.76946539 -2.3295232 -6.1219308
>> 155 1 -0.77608037 -4.66003822 -2.42450269
>> 156 1 -0.39536402 -5.27508805 -1.20606395
>> 157 1 0.26478535 -6.56446462 -1.24169174
>> 158 1 0.51300014 -7.17902929 -2.49414217
>> 159 1 -0.64473286 -4.65980922 0.03588759
>> 160 1 0.64570371 -7.17982935 -0.03367229
>> 161 1 -0.26246301 -5.27476057 1.24377416
>> 162 1 0.39767092 -6.56380163 1.2082107
>> 163 1 -0.51010657 -4.6603946 2.49730623
>> 164 1 -0.13064888 -5.27726497 3.6936956
>> 165 1 0.5280045 -6.5621995 3.65822778
>> 166 1 0.77931625 -7.17785048 2.42783111
>> 167 1 -0.3799188 -4.66411229 4.96573115
>> 168 1 0.90815416 -7.17717338 4.89646166
>> 169 1 -0.00005708 -5.28731944 6.1274607
>> 170 1 0.65004362 -6.55643108 6.09248588
>> 171 1 -0.90693017 -4.66151384 -4.89106894
>> 172 1 -0.52567246 -5.27684615 -3.65421614
>> 173 1 0.13199598 -6.56200536 -3.68972706
>> 174 1 0.37877193 -7.17730885 -4.96029438
>> 175 1 -0.00362324 -6.55446234 -6.12158101
>> 176 1 -0.6516917 -5.28455044 -6.08671375
>> 177 1 4.28973388 4.21460138 -2.4947778
>> 178 1 4.03783039 3.60225472 -1.24201506
>> 179 1 3.37109372 2.31629786 -1.20570699
>> 180 1 2.98644477 1.70297631 -2.42381848
>> 181 1 4.4218949 4.2165683 -0.03441349
>> 182 1 3.11903987 1.70299326 0.036633
>> 183 1 4.17097278 3.60238422 1.20780919
>> 184 1 3.50446543 2.31665581 1.24416358
>> 185 1 4.55582107 4.21515741 2.4270369
>> 186 1 4.30143987 3.60167187 3.65782391
>> 187 1 3.63689548 2.31980133 3.69404315
>> 188 1 3.25392346 1.70418176 2.49807016
>> 189 1 4.68386699 4.21625231 4.89563641
>> 190 1 3.38599024 1.70828299 4.96646044
>> 191 1 4.42320409 3.59742127 6.0920852
>> 192 1 3.76886831 2.330508 6.12773912
>> 193 1 4.15589715 4.21170651 -4.96113054
>> 194 1 3.90533891 3.59903652 -3.69003446
>> 195 1 3.24002491 2.31784588 -3.65384309
>> 196 1 2.85442318 1.70407417 -4.89012672
>> 197 1 3.11331733 2.32474631 -6.08619328
>> 198 1 3.76946301 3.59047564 -6.12196502
>> 199 1 -0.77607974 1.25996083 -2.42449878
>> 200 1 -0.39536351 0.64491157 -1.20605862
>> 201 1 0.26478589 -0.64446492 -1.2416865
>> 202 1 0.51300008 -1.25902894 -2.49413816
>> 203 1 -0.64473137 1.26018885 0.03589437
>> 204 1 0.64570439 -1.25982925 -0.03366623
>> 205 1 -0.26246171 0.64523729 1.24378221
>> 206 1 0.39767185 -0.64380393 1.20821889
>> 207 1 -0.51010374 1.25959981 2.49731665
>> 208 1 -0.13064701 0.64272734 3.69370669
>> 209 1 0.52800499 -0.64220813 3.65824082
>> 210 1 0.7793163 -1.25785458 2.42784034
>> 211 1 -0.37991502 1.2558774 4.96574413
>> 212 1 0.90816306 -1.25717735 4.8964775
>> 213 1 -0.00004659 0.63267546 6.12747511
>> 214 1 0.65006495 -0.6364321 6.09250537
>> 215 1 -0.90692992 1.2584858 -4.89106707
>> 216 1 -0.52567228 0.64315376 -3.65421321
>> 217 1 0.13199614 -0.64200558 -3.68972389
>> 218 1 0.37877185 -1.25730867 -4.96029217
>> 219 1 -0.00362315 -0.63446246 -6.12157929
>> 220 1 -0.65169165 0.63544956 -6.08671236
>> 221 1 4.28973393 10.13460128 -2.49477798
>> 222 1 4.03783055 9.52225459 -1.24201528
>> 223 1 3.3710938 8.23629774 -1.20570718
>> 224 1 2.98644472 7.62297625 -2.42381864
>> 225 1 4.4218949 10.13656813 -0.03441362
>> 226 1 3.11903979 7.62299309 0.03663289
>> 227 1 4.17097317 9.52238386 1.20780898
>> 228 1 3.50446574 8.23665543 1.24416343
>> 229 1 4.55582084 10.1351572 2.4270368
>> 230 1 4.3014397 9.52167167 3.65782375
>> 231 1 3.63689508 8.23980109 3.69404333
>> 232 1 3.25392322 7.62418154 2.49807019
>> 233 1 4.68386586 10.13625268 4.89563628
>> 234 1 3.38598851 7.62828338 4.96646077
>> 235 1 4.42320336 9.5174209 6.09208489
>> 236 1 3.76886708 8.25050774 6.12773955
>> 237 1 4.15589726 10.13170642 -4.96113073
>> 238 1 3.90533899 9.51903647 -3.69003469
>> 239 1 3.24002494 8.23784586 -3.65384331
>> 240 1 2.8544232 7.62407416 -4.89012689
>> 241 1 3.11331741 8.24474629 -6.08619346
>> 242 1 3.76946311 9.51047556 -6.12196522
>> 243 1 -0.77607152 7.1799533 -2.42442199
>> 244 1 -0.39536387 6.56492152 -1.20595262
>> 245 1 0.26478458 5.27554554 -1.24159438
>> 246 1 0.51299437 4.66098997 -2.49407089
>> 247 1 -0.64472666 7.18018767 0.03602593
>> 248 1 0.64568854 4.66021001 -0.03354685
>> 249 1 -0.26247324 6.56527836 1.24396352
>> 250 1 0.39765836 5.27623874 1.20836138
>> 251 1 -0.51009835 7.17963764 2.497543
>> 252 1 -0.13065023 6.56282949 3.69401113
>> 253 1 0.52800144 5.27788331 3.65844663
>> 254 1 0.77929045 4.66224121 2.42801686
>> 255 1 -0.37991457 7.17590985 4.96615774
>> 256 1 0.90814886 4.66285739 4.89666542
>> 257 1 -0.00009418 6.55261644 6.12791538
>> 258 1 0.65000234 5.28350882 6.09273647
>> 259 1 -0.90692596 7.17848175 -4.89102735
>> 260 1 -0.52567154 6.56315821 -3.65415492
>> 261 1 0.1319971 5.27799768 -3.68967498
>> 262 1 0.37876942 4.66269922 -4.96026096
>> 263 1 -0.00362276 5.28553877 -6.12155699
>> 264 1 -0.65169162 6.55545221 -6.08668231
>> 265 1 11.82973426 -1.70540412 -2.49472067
>> 266 1 11.57783992 -2.31773792 -1.24193727
>> 267 1 10.9111023 -3.60369413 -1.20564051
>> 268 1 10.52645439 -4.21700995 -2.42377019
>> 269 1 11.96190263 -1.70343229 -0.03431678
>> 270 1 10.6590609 -4.21697772 0.03671755
>> 271 1 11.71099547 -2.31758464 1.20794079
>> 272 1 11.04448747 -3.60331251 1.24426434
>> 273 1 12.09583428 -1.70481352 2.42720288
>> 274 1 11.84146654 -2.31825574 3.65804418
>> 275 1 11.17691968 -3.60013578 3.6941873
>> 276 1 10.79395998 -4.21575133 2.49819244
>> 277 1 12.2238966 -1.70373586 4.89594166
>> 278 1 10.92600284 -4.2116906 4.9665878
>> 279 1 11.96325591 -2.32263157 6.09240533
>> 280 1 11.30888953 -3.58953532 6.12790394
>> 281 1 11.69589735 -1.70829643 -4.96110091
>> 282 1 11.44534295 -2.32096005 -3.68999143
>> 283 1 10.78002814 -3.6021517 -3.65380751
>> 284 1 10.39442734 -4.21592031 -4.89010424
>> 285 1 10.65331882 -3.59525288 -6.0861769
>> 286 1 11.30946541 -2.32952249 -6.12194272
>> 287 1 6.76391973 -4.66003798 -2.42450263
>> 288 1 7.14463616 -5.27508778 -1.20606393
>> 289 1 7.80478552 -6.56446436 -1.24169178
>> 290 1 8.05300027 -7.17902904 -2.49414218
>> 291 1 6.89526719 -4.65980891 0.03588762
>> 292 1 8.18570392 -7.17982907 -0.03367234
>> 293 1 7.27753717 -5.27476017 1.24377416
>> 294 1 7.93767119 -6.56380122 1.20821057
>> 295 1 7.02989332 -4.66039416 2.49730621
>> 296 1 7.40935137 -5.27726416 3.69369568
>> 297 1 8.06800522 -6.5621985 3.65822753
>> 298 1 8.31931669 -7.17784983 2.42783103
>> 299 1 7.16008095 -4.66411145 4.96573119
>> 300 1 8.44815481 -7.17717235 4.89646146
>> 301 1 7.53994384 -5.28731792 6.12746069
>> 302 1 8.19004416 -6.55642963 6.09248539
>> 303 1 6.63306991 -4.66151366 -4.89106891
>> 304 1 7.01432773 -5.27684588 -3.65421611
>> 305 1 7.67199615 -6.56200509 -3.68972708
>> 306 1 7.91877195 -7.1773086 -4.96029441
>> 307 1 7.53637683 -6.55446209 -6.12158107
>> 308 1 6.8883084 -5.2845502 -6.08671376
>> 309 1 11.82973402 4.21460126 -2.49477786
>> 310 1 11.57783052 3.60225457 -1.24201513
>> 311 1 10.91109378 2.31629775 -1.20570699
>> 312 1 10.52644477 1.70297617 -2.42381846
>> 313 1 11.96189508 4.21656812 -0.03441363
>> 314 1 10.65903991 1.70299311 0.03663295
>> 315 1 11.71097296 3.60238398 1.20780903
>> 316 1 11.04446559 2.31665561 1.24416351
>> 317 1 12.09582103 4.21515724 2.42703671
>> 318 1 11.84143985 3.60167157 3.65782365
>> 319 1 11.17689565 2.31980095 3.69404313
>> 320 1 10.79392347 1.70418152 2.49807007
>> 321 1 12.22386706 4.216252 4.8956361
>> 322 1 10.92598982 1.70828284 4.96646042
>> 323 1 11.96320512 3.5974201 6.09208473
>> 324 1 11.30886857 2.33050713 6.12773934
>> 325 1 11.69589729 4.21170646 -4.96113053
>> 326 1 11.44533903 3.59903639 -3.69003447
>> 327 1 10.78002496 2.31784577 -3.65384304
>> 328 1 10.39442312 1.70407403 -4.89012665
>> 329 1 10.65331733 2.32474622 -6.08619316
>> 330 1 11.30946307 3.59047554 -6.12196494
>> 331 1 6.76391974 1.25996195 -2.42450257
>> 332 1 7.14463608 0.64491214 -1.20606385
>> 333 1 7.80478534 -0.64446445 -1.2416917
>> 334 1 8.05300016 -1.25902914 -2.49414211
>> 335 1 6.89526731 1.26019095 0.03588766
>> 336 1 8.18570376 -1.25982922 -0.03367227
>> 337 1 7.27753704 0.64523962 1.24377424
>> 338 1 7.93767077 -0.64380151 1.20821073
>> 339 1 7.02989361 1.25960561 2.49730627
>> 340 1 7.40935165 0.64273552 3.69369562
>> 341 1 8.0680049 -0.64219901 3.6582279
>> 342 1 8.31931648 -1.25785013 2.42783122
>> 343 1 7.16008229 1.25588848 4.9657311
>> 344 1 8.4481551 -1.25717246 4.8964618
>> 345 1 7.53994484 0.63268174 6.1274606
>> 346 1 8.19004456 -0.63643024 6.09248595
>> 347 1 6.63306985 1.25848632 -4.89106885
>> 348 1 7.01432767 0.64315409 -3.65421602
>> 349 1 7.67199606 -0.64200514 -3.68972698
>> 350 1 7.91877184 -1.25730868 -4.96029433
>> 351 1 7.53637673 -0.63446214 -6.12158098
>> 352 1 6.8883083 0.63544979 -6.08671371
>> 353 1 11.82973325 10.13459825 -2.49476584
>> 354 1 11.57783083 9.52225346 -1.24199866
>> 355 1 10.91109376 8.23629697 -1.20569129
>> 356 1 10.52644613 7.62297749 -2.42380674
>> 357 1 11.96189287 10.13656222 -0.03439191
>> 358 1 10.65904006 7.62299386 0.03665142
>> 359 1 11.71097135 9.52237787 1.20783487
>> 360 1 11.04446465 8.23664913 1.24418863
>> 361 1 12.09581536 10.13513982 2.42707135
>> 362 1 11.84143618 9.52164707 3.65785999
>> 363 1 11.17689593 8.23977381 3.694083
>> 364 1 10.79392553 7.62416891 2.49809752
>> 365 1 12.22385746 10.13621435 4.89568205
>> 366 1 10.92596917 7.62826543 4.96651002
>> 367 1 11.96317588 9.51739402 6.09213575
>> 368 1 11.3088104 8.25049105 6.12780849
>> 369 1 11.69589692 10.13170514 -4.9611251
>> 370 1 11.44533933 9.51903604 -3.69002589
>> 371 1 10.78002526 8.23784517 -3.65383397
>> 372 1 10.39442385 7.62407472 -4.89012042
>> 373 1 10.65331741 8.24474583 -6.08618843
>> 374 1 11.30946322 9.51047535 -6.12196115
>> 375 1 6.76393444 7.17994439 -2.42439494
>> 376 1 7.14464295 6.56491563 -1.20591515
>> 377 1 7.80479184 5.27553972 -1.24154693
>> 378 1 8.0529951 4.66099241 -2.49403643
>> 379 1 6.89528938 7.18016867 0.03607374
>> 380 1 8.1856962 4.66020822 -0.03348762
>> 381 1 7.27754243 6.56525313 1.24401903
>> 382 1 7.93767517 5.27621449 1.2084437
>> 383 1 7.0299176 7.17958489 2.4976095
>> 384 1 7.40934571 6.56277482 3.6940906
>> 385 1 8.06800607 5.27782388 3.65859047
>> 386 1 8.31929696 4.66221623 2.42812331
>> 387 1 7.16008949 7.17591213 4.96620968
>> 388 1 8.44816563 4.66284485 4.89686947
>> 389 1 7.53996645 6.55268369 6.12797917
>> 390 1 8.19006172 5.28358243 6.09293511
>> 391 1 6.6330767 7.17847834 -4.89101528
>> 392 1 7.01433066 6.56315629 -3.65413522
>> 393 1 7.67199998 5.27799514 -3.68964917
>> 394 1 7.9187699 4.66270072 -4.96024323
>> 395 1 7.53637901 5.2855375 -6.12154368
>> 396 1 6.88830956 6.55545161 -6.08667373
>> 397 1 19.36973381 -1.70539858 -2.49477789
>> 398 1 19.11783037 -2.31774522 -1.24201516
>> 399 1 18.45109368 -3.60370209 -1.20570705
>> 400 1 18.06644463 -4.21702367 -2.42381853
>> 401 1 19.50189483 -1.70343166 -0.03441357
>> 402 1 18.19903977 -4.21700671 0.03663299
>> 403 1 19.25097289 -2.31761576 1.20780909
>> 404 1 18.58446552 -3.60334421 1.24416353
>> 405 1 19.63582092 -1.70484256 2.42703685
>> 406 1 19.3814396 -2.31832804 3.65782381
>> 407 1 18.716895 -3.60019853 3.69404341
>> 408 1 18.33392312 -4.21581814 2.49807024
>> 409 1 19.76386643 -1.70374759 4.89563641
>> 410 1 18.46598935 -4.2117167 4.96646086
>> 411 1 19.50320315 -2.32257907 6.09208501
>> 412 1 18.84886755 -3.58949256 6.12774003
>> 413 1 19.23589712 -1.70829349 -4.96113062
>> 414 1 18.98533883 -2.32096343 -3.69003456
>> 415 1 18.32002479 -3.60215407 -3.65384319
>> 416 1 17.93442304 -4.21592585 -4.89012679
>> 417 1 18.19331725 -3.59525367 -6.08619332
>> 418 1 18.84946295 -2.32952437 -6.12196506
>> 419 1 14.30392082 -4.66003943 -2.42449193
>> 420 1 14.6846365 -5.27508709 -1.20604963
>> 421 1 15.34478575 -6.56446355 -1.24167663
>> 422 1 15.59299943 -7.17902655 -2.49413113
>> 423 1 14.4352685 -4.65980944 0.03590431
>> 424 1 15.72570235 -7.1798238 -0.03365248
>> 425 1 14.81753502 -5.27475546 1.24379695
>> 426 1 15.47766934 -6.5637963 1.20823438
>> 427 1 14.56988817 -4.66038694 2.49733116
>> 428 1 14.94933936 -5.27724644 3.69373199
>> 429 1 15.60799464 -6.56218034 3.65826139
>> 430 1 15.85931038 -7.17783517 2.42786295
>> 431 1 14.70007524 -4.66408908 4.96577452
>> 432 1 15.98813925 -7.17714082 4.89650465
>> 433 1 15.07993925 -5.28727698 6.12752075
>> 434 1 15.73003333 -6.55639668 6.09253205
>> 435 1 14.17307037 -4.6615144 -4.89106319
>> 436 1 14.55432771 -5.27684557 -3.65420777
>> 437 1 15.21199628 -6.56200495 -3.68971911
>> 438 1 15.4587716 -7.17730761 -4.96028935
>> 439 1 15.07637685 -6.55446211 -6.12157747
>> 440 1 14.42830831 -5.28454999 -6.08670936
>> 441 1 19.36973406 4.21459982 -2.49476348
>> 442 1 19.11783169 3.60225656 -1.24199585
>> 443 1 18.45109556 2.3162996 -1.20568859
>> 444 1 18.06644741 1.70297973 -2.42380517
>> 445 1 19.50189476 4.21656883 -0.03439042
>> 446 1 18.19904445 1.70300082 0.03665664
>> 447 1 19.25098 3.60239087 1.20784015
>> 448 1 18.58447119 2.31666335 1.24419166
>> 449 1 19.63583734 4.215162 2.42707241
>> 450 1 19.38146974 3.60168584 3.65787283
>> 451 1 18.71691647 2.31981836 3.69408183
>> 452 1 18.33393616 1.7041997 2.49810599
>> 453 1 19.7638612 4.21627901 4.89570238
>> 454 1 18.46601387 1.70830534 4.96650311
>> 455 1 19.50315158 3.59747887 6.09216707
>> 456 1 18.84885779 2.33053872 6.12779108
>> 457 1 19.2358973 4.2117058 -4.96112296
>> 458 1 18.98534006 3.59903728 -3.69002351
>> 459 1 18.32002574 2.31784642 -3.65383334
>> 460 1 17.93442425 1.70407561 -4.8901206
>> 461 1 18.19331772 2.32474655 -6.08618883
>> 462 1 18.84946363 3.5904762 -6.12195926
>> 463 1 14.30392245 1.2599583 -2.4244894
>> 464 1 14.68463786 0.64490975 -1.20604564
>> 465 1 15.34478648 -0.6444671 -1.24167061
>> 466 1 15.59300047 -1.25902766 -2.49412662
>> 467 1 14.43527148 1.26018249 0.03591071
>> 468 1 15.72570293 -1.25983055 -0.03364635
>> 469 1 14.81754271 0.64523113 1.24380158
>> 470 1 15.47767866 -0.64380873 1.20824548
>> 471 1 14.5699069 1.25958928 2.49733932
>> 472 1 14.94937617 0.64272678 3.69373337
>> 473 1 15.60804251 -0.64220366 3.6582839
>> 474 1 15.85933706 -1.25784983 2.42787351
>> 475 1 14.70010052 1.25588583 4.96576539
>> 476 1 15.98813807 -1.25719075 4.89654227
>> 477 1 15.07990542 0.63266625 6.12750796
>> 478 1 15.72994434 -0.63647902 6.09257576
>> 479 1 14.17307081 1.25848477 -4.89106271
>> 480 1 14.55432847 0.64315335 -3.65420627
>> 481 1 15.21199732 -0.64200609 -3.68971523
>> 482 1 15.45877201 -1.25730806 -4.96028626
>> 483 1 15.0763773 -0.63446284 -6.12157484
>> 484 1 14.42830859 0.63544943 -6.08670917
>> 485 1 19.36972769 10.13458203 -2.49471079
>> 486 1 19.11782938 9.52224248 -1.24192389
>> 487 1 18.45109375 8.23628624 -1.20560034
>> 488 1 18.06645252 7.62298326 -2.42374088
>> 489 1 19.50188019 10.13652608 -0.0342956
>> 490 1 18.19904603 7.6229908 0.03676474
>> 491 1 19.25095647 9.52233798 1.20794852
>> 492 1 18.58445141 8.23661064 1.24434595
>> 493 1 19.63578249 10.13506338 2.42720846
>> 494 1 19.38140554 9.52158579 3.65802084
>> 495 1 18.71686162 8.23970748 3.69434911
>> 496 1 18.33391439 7.62414223 2.49829796
>> 497 1 19.7638519 10.13620483 4.8958092
>> 498 1 18.46599696 7.62825909 4.96688359
>> 499 1 19.50322726 9.51744997 6.09230876
>> 500 1 18.84889786 8.25053128 6.1281926
>> 501 1 19.23589474 10.13169844 -4.96109931
>> 502 1 18.98533958 9.51903288 -3.68998568
>> 503 1 18.32002543 8.23784109 -3.6537839
>> 504 1 17.93442725 7.62407797 -4.89008611
>> 505 1 18.19331748 8.24474345 -6.08616231
>> 506 1 18.84946345 9.51047415 -6.12194258
>> 507 1 14.30391982 7.17996157 -2.42450129
>> 508 1 14.68463626 6.56491187 -1.20606208
>> 509 1 15.34478565 5.27553534 -1.24168976
>> 510 1 15.59300009 4.66097091 -2.49414067
>> 511 1 14.43526773 7.18019019 0.03588989
>> 512 1 15.725704 4.66017075 -0.03367004
>> 513 1 14.81753745 6.56523874 1.24377693
>> 514 1 15.47767108 5.27619755 1.20821373
>> 515 1 14.56989391 7.17960368 2.49730959
>> 516 1 14.94935011 6.56273277 3.69369964
>> 517 1 15.60800248 5.27779755 3.65823284
>> 518 1 15.85931516 4.66214814 2.42783487
>> 519 1 14.70008056 7.17588619 4.96573499
>> 520 1 15.98815726 4.66282723 4.89646806
>> 521 1 15.07994715 6.55268325 6.12746543
>> 522 1 15.73005402 5.28357457 6.09249224
>> 523 1 14.17306985 7.1784862 -4.89106822
>> 524 1 14.55432764 6.56315395 -3.65421505
>> 525 1 15.21199609 5.27799467 -3.68972583
>> 526 1 15.45877188 4.66269132 -4.96029356
>> 527 1 15.0763768 5.28553775 -6.12158034
>> 528 1 14.42830831 6.55544971 -6.08671317
>> 529 1 -1.95886233 5.39578229 10.30318105
>> 530 1 -0.50740598 5.38814645 10.30376665
>> 531 1 -0.05177993 6.76638056 10.30352195
>> 532 1 -1.22172412 7.62560452 10.30326435
>> 533 1 -2.40033939 6.77848423 10.30282741
>> 534 1 -3.53691181 7.1543793 11.04207329
>> 535 1 -2.66778949 4.43155747 11.04287094
>> 536 1 0.19042398 4.41635367 11.04424606
>> 537 1 1.08777881 7.13038786 11.04422827
>> 538 1 -1.2157664 8.82246198 11.04307172
>> 539 1 1.36613991 4.79185816 11.80809039
>> 540 1 1.80768431 6.1278184 11.80819365
>> 541 1 1.0938003 8.36511642 11.80728482
>> 542 1 -0.04000119 9.19809598 11.80679803
>> 543 1 -2.38829214 9.21012091 11.80563655
>> 544 1 -3.53080383 8.38909377 11.80512014
>> 545 1 -4.26821802 6.15941763 11.80494557
>> 546 1 -3.84043594 4.81907768 11.80534881
>> 547 1 -1.94781086 3.42900264 11.80642754
>> 548 1 -0.54093663 3.42146378 11.80721135
>> 549 1 -2.67466445 3.19793842 13.04092654
>> 550 1 -3.84510609 4.05617086 13.0401123
>> 551 1 0.18237156 3.18278493 13.04247667
>> 552 1 1.36164644 4.02888365 13.04280572
>> 553 1 2.25804188 6.74290531 13.04306356
>> 554 1 1.81708786 8.1254352 13.04268935
>> 555 1 -0.48593363 9.81779251 13.04136786
>> 556 1 -1.93729995 9.82534647 13.04053794
>> 557 1 -4.25833992 8.15710553 13.03951036
>> 558 1 -4.7141521 6.7792099 13.03920993
>> 559 1 -1.97362529 2.9646027 14.23826783
>> 560 1 -0.52229932 2.95681324 14.23915378
>> 561 1 1.79820372 4.62532186 14.24016835
>> 562 1 2.25342565 6.00315933 14.24043461
>> 563 1 1.3852118 8.72630117 14.23944395
>> 564 1 0.21549815 9.58554586 14.23871205
>> 565 1 -3.8212514 8.75341766 14.23663661
>> 566 1 -2.64249683 9.60033672 14.23705679
>> 567 1 -4.27705839 4.65707595 14.23680489
>> 568 1 -4.7186326 6.0395663 14.23642902
>> 569 1 -0.0713246 3.57191792 15.47424194
>> 570 1 1.07108859 4.39305355 15.47477709
>> 571 1 -3.55351351 4.41736913 15.47206753
>> 572 1 -2.41966228 3.58437226 15.47278204
>> 573 1 -4.26759191 6.6546808 15.47123018
>> 574 1 -3.8257634 7.99050653 15.47135393
>> 575 1 -1.91874015 9.36114565 15.4722267
>> 576 1 -0.51183719 9.353873 15.47314922
>> 577 1 1.80806126 6.62294648 15.47468481
>> 578 1 1.38059655 7.96346108 15.47418845
>> 579 1 -1.2439145 3.95966278 16.23669634
>> 580 1 -3.54747794 5.65212114 16.23499195
>> 581 1 -2.64996076 8.36606422 16.23506076
>> 582 1 0.20806173 8.35115488 16.23668238
>> 583 1 1.07713578 5.62786346 16.23775973
>> 584 1 -1.95213657 7.39421005 16.9754404
>> 585 1 -0.50074696 7.38670042 16.97628041
>> 586 1 -0.05938361 6.00388422 16.97690076
>> 587 1 -1.23796381 5.1566833 16.97631421
>> 588 1 -2.40772497 6.01603437 16.9753447
>> 589 1 -6.95884555 -3.26965847 10.30361508
>> 590 1 -5.50746187 -3.27726361 10.30428918
>> 591 1 -5.05194807 -1.89903828 10.30416943
>> 592 1 -6.22175783 -1.03967861 10.30323744
>> 593 1 -7.40032068 -1.88692245 10.3030122
>> 594 1 -8.5368537 -1.51101545 11.04225844
>> 595 1 -7.66769107 -4.23402946 11.04324986
>> 596 1 -4.80971332 -4.24917818 11.04472061
>> 597 1 -3.91231072 -1.53499715 11.04458152
>> 598 1 -6.21584062 0.15726399 11.04304932
>> 599 1 -3.63401447 -3.87357238 11.80852307
>> 600 1 -3.19248693 -2.5375998 11.8085768
>> 601 1 -3.90632222 -0.30022666 11.80754815
>> 602 1 -5.04011373 0.53278354 11.80688872
>> 603 1 -7.38839922 0.54492436 11.80560665
>> 604 1 -8.53085095 -0.27620778 11.80518041
>> 605 1 -9.26804332 -2.50602199 11.80516109
>> 606 1 -8.84032343 -3.84639913 11.80566131
>> 607 1 -6.94784222 -5.23673114 11.80678945
>> 608 1 -5.54095625 -5.24423062 11.80761597
>> 609 1 -7.67520103 -5.46841087 13.04118802
>> 610 1 -8.84499637 -4.60924704 13.0404178
>> 611 1 -4.81719746 -5.48346251 13.04279815
>> 612 1 -3.63853359 -4.63646758 13.04322439
>> 613 1 -2.74205631 -1.92247145 13.04337756
>> 614 1 -3.1830609 -0.53999665 13.04295823
>> 615 1 -5.48610998 1.15257444 13.04147166
>> 616 1 -6.93745587 1.16015226 13.04058128
>> 617 1 -9.25832113 -0.50826677 13.03960454
>> 618 1 -9.71404154 -1.88616354 13.03935244
>> 619 1 -6.97369879 -5.70066208 14.23845898
>> 620 1 -5.52232373 -5.70845816 14.2393706
>> 621 1 -3.20169058 -4.04012716 14.24048585
>> 622 1 -2.74647786 -2.66222429 14.24074795
>> 623 1 -3.61477459 0.06096165 14.23975487
>> 624 1 -4.78513384 0.91930099 14.23888588
>> 625 1 -8.82154533 0.08823136 14.23679751
>> 626 1 -7.64241323 0.93462055 14.2371759
>> 627 1 -9.2771896 -4.00835973 14.2369839
>> 628 1 -9.71871112 -2.62579428 14.23655598
>> 629 1 -5.07136794 -5.09333022 15.47437731
>> 630 1 -3.92891087 -4.27225267 15.4750425
>> 631 1 -8.55360614 -4.24791709 15.47221674
>> 632 1 -7.41973296 -5.08088257 15.47288005
>> 633 1 -9.26776017 -2.01063298 15.47135996
>> 634 1 -8.82601458 -0.67477783 15.47152511
>> 635 1 -6.91894567 0.6956938 15.47241156
>> 636 1 -5.51204646 0.68827644 15.47338853
>> 637 1 -3.19184511 -2.04241955 15.47500085
>> 638 1 -3.61940947 -0.7019357 15.47449529
>> 639 1 -6.2439788 -4.70544949 16.23671261
>> 640 1 -8.54760059 -3.01315573 16.23512517
>> 641 1 -7.65021504 -0.2992881 16.23528067
>> 642 1 -4.7919954 -0.31429186 16.23696237
>> 643 1 -3.92285686 -3.0374645 16.23805841
>> 644 1 -6.952296 -1.27106342 16.97568033
>> 645 1 -5.50084956 -1.27861133 16.97660242
>> 646 1 -5.05942922 -2.66139908 16.97712934
>> 647 1 -6.23804967 -3.50852224 16.97638074
>> 648 1 -7.40785281 -2.64922039 16.97547163
>> 649 1 8.04694404 5.39571424 10.30268316
>> 650 1 9.49840353 5.38815389 10.30364822
>> 651 1 9.95395695 6.76638492 10.30373721
>> 652 1 8.78414067 7.62568754 10.30306131
>> 653 1 7.60545297 6.77856939 10.30201024
>> 654 1 6.46911316 7.15452508 11.04161978
>> 655 1 7.33815549 4.43142956 11.04254622
>> 656 1 10.19617935 4.41636579 11.0442159
>> 657 1 11.09351593 7.13038881 11.04434613
>> 658 1 8.79010852 8.82258584 11.0428856
>> 659 1 11.3718348 4.7918817 11.8081383
>> 660 1 11.81337358 6.12782165 11.80831781
>> 661 1 11.09954299 8.36510403 11.80738347
>> 662 1 9.96579194 9.19811329 11.80679279
>> 663 1 7.61760664 9.21037879 11.80541411
>> 664 1 6.47522128 8.38925372 11.8047386
>> 665 1 5.73815054 6.1594836 11.80470568
>> 666 1 6.16564773 4.81901268 11.80514567
>> 667 1 8.0580544 3.42880472 11.80616892
>> 668 1 9.46491205 3.4213658 11.80710454
>> 669 1 7.33129541 3.19780198 13.040769
>> 670 1 6.16100698 4.05616751 13.03992359
>> 671 1 10.18812803 3.18274204 13.04245201
>> 672 1 11.36735366 4.02889737 13.04282977
>> 673 1 12.26376535 6.74291137 13.04315093
>> 674 1 11.82281869 8.12543481 13.04278325
>> 675 1 9.51986754 9.81783834 13.04136104
>> 676 1 8.06852537 9.82552132 13.04046493
>> 677 1 5.74807021 8.15710411 13.03932293
>> 678 1 5.29283821 6.77924276 13.03899804
>> 679 1 8.03219699 2.96446486 14.23823448
>> 680 1 9.48349931 2.95675448 14.23915601
>> 681 1 11.80390371 4.62533086 14.24019148
>> 682 1 12.25913574 6.00315697 14.24049828
>> 683 1 11.39093814 8.72631263 14.23951404
>> 684 1 10.22125162 9.58559187 14.23875116
>> 685 1 6.18483729 8.75344868 14.23660046
>> 686 1 7.36342922 9.60053037 14.23707621
>> 687 1 5.7293285 4.65706732 14.23675422
>> 688 1 5.28837261 6.03953444 14.2363747
>> 689 1 9.93445063 3.57185761 15.47427883
>> 690 1 11.07680809 4.39305079 15.47479965
>> 691 1 6.45247372 4.41720784 15.4722117
>> 692 1 7.58620272 3.58412693 15.47288651
>> 693 1 5.7387487 6.65462386 15.4711887
>> 694 1 6.18030385 7.99057127 15.47129542
>> 695 1 8.08708392 9.36138079 15.472353
>> 696 1 9.49397309 9.35397967 15.47323558
>> 697 1 11.8137544 6.62294877 15.47472823
>> 698 1 11.38630067 7.96346092 15.47424085
>> 699 1 8.76190676 3.95951834 16.23683895
>> 700 1 6.45848879 5.65197847 16.23517409
>> 701 1 7.35593209 8.36619935 16.23517462
>> 702 1 10.21378551 8.35117428 16.23674865
>> 703 1 11.08284419 5.6278507 16.23778628
>> 704 1 8.05363826 7.39424153 16.97559479
>> 705 1 9.5050082 7.38669002 16.9763577
>> 706 1 9.94636395 6.0038524 16.97697505
>> 707 1 8.76784274 5.15657552 16.97649116
>> 708 1 7.59810591 6.01598064 16.97560968
>> 709 1 3.0469398 -3.26973657 10.30321422
>> 710 1 4.49833205 -3.27730938 10.30397824
>> 711 1 4.9539061 -1.89901898 10.30375825
>> 712 1 3.78410111 -1.03965167 10.30318422
>> 713 1 2.60557384 -1.88689358 10.3027293
>> 714 1 1.46915366 -1.51090792 11.04203711
>> 715 1 2.33821898 -4.23415538 11.0430096
>> 716 1 5.19601779 -4.2492149 11.04453108
>> 717 1 6.09340421 -1.53502423 11.0444822
>> 718 1 3.79006041 0.15737878 11.04290689
>> 719 1 6.37166718 -3.873586 11.80839038
>> 720 1 6.81319317 -2.53762787 11.8084732
>> 721 1 6.09945701 -0.3002711 11.80748066
>> 722 1 4.96574612 0.5328099 11.80685232
>> 723 1 2.61757211 0.54506383 11.80554229
>> 724 1 1.47522666 -0.27612198 11.80505427
>> 725 1 0.73829064 -2.50599032 11.80513738
>> 726 1 1.16573994 -3.84648198 11.8055877
>> 727 1 3.05798462 -5.23695024 11.80655062
>> 728 1 4.46485404 -5.24434378 11.80741919
>> 729 1 2.33074706 -5.4685744 13.04106277
>> 730 1 1.16109361 -4.60928959 13.04033434
>> 731 1 5.18852468 -5.48349012 13.04267624
>> 732 1 6.36714104 -4.63645551 13.04309889
>> 733 1 7.26361922 -1.92253322 13.04329388
>> 734 1 6.82266079 -0.54006848 13.04292775
>> 735 1 4.51980673 1.15256113 13.04149675
>> 736 1 3.06850195 1.16024796 13.04063924
>> 737 1 0.74810808 -0.50836626 13.03964642
>> 738 1 0.29287708 -1.88618447 13.03934372
>> 739 1 3.03213729 -5.7008535 14.23843133
>> 740 1 4.4834825 -5.70852482 14.23930259
>> 741 1 6.80398749 -4.04015117 14.24036177
>> 742 1 7.25921462 -2.66227317 14.24065559
>> 743 1 6.39104137 0.06087859 14.23976431
>> 744 1 5.22073705 0.91927235 14.23895572
>> 745 1 1.18461243 0.08812762 14.236994
>> 746 1 2.36383201 0.93431269 14.23734912
>> 747 1 0.72917932 -4.00843015 14.2370645
>> 748 1 0.28822269 -2.62590464 14.23670485
>> 749 1 4.93444981 -5.09343133 15.47434167
>> 750 1 6.07685237 -4.27230957 15.47495289
>> 751 1 1.45242057 -4.24815522 15.47246264
>> 752 1 2.58618094 -5.08119137 15.47301341
>> 753 1 0.73857397 -2.01079995 15.47152981
>> 754 1 1.18013372 -0.67485367 15.47168673
>> 755 1 3.08706703 0.6957079 15.4726909
>> 756 1 4.4939513 0.68827878 15.47354195
>> 757 1 6.81392486 -2.04250248 15.47494078
>> 758 1 6.3864257 -0.70201565 15.47450752
>> 759 1 3.76191528 -4.70566601 16.23684452
>> 760 1 1.45842465 -3.01340963 16.2354666
>> 761 1 2.35581029 -0.29932208 16.23556602
>> 762 1 5.21390649 -0.3143755 16.23707471
>> 763 1 6.08294496 -3.03755622 16.2380041
>> 764 1 3.05362293 -1.27116055 16.97599873
>> 765 1 4.50506584 -1.27872174 16.97674129
>> 766 1 4.94644542 -2.66153304 16.97718987
>> 767 1 3.76786921 -3.5087267 16.97658203
>> 768 1 2.5980812 -2.64939323 16.97585952
>> 769 1 18.05285858 5.39565257 10.30320585
>> 770 1 19.50429782 5.38804134 10.30404975
>> 771 1 19.95984516 6.76619997 10.30419839
>> 772 1 18.79003285 7.62558788 10.30297634
>> 773 1 17.61139102 6.77840813 10.30255566
>> 774 1 16.47486815 7.15444001 11.04174884
>> 775 1 17.34402921 4.43133496 11.04286603
>> 776 1 20.20218089 4.4163027 11.04456819
>> 777 1 21.09954834 7.130136 11.04463942
>> 778 1 18.79597285 8.82237818 11.04300026
>> 779 1 21.37799233 4.79177321 11.80831051
>> 780 1 21.81970513 6.12763427 11.80845461
>> 781 1 21.10555699 8.36487061 11.8075906
>> 782 1 19.97169757 9.19783056 11.8068793
>> 783 1 17.62340876 9.21027977 11.80541005
>> 784 1 16.48095442 8.38921266 11.80479116
>> 785 1 15.74390552 6.15939225 11.80485563
>> 786 1 16.17146279 4.81892639 11.80537021
>> 787 1 18.0640243 3.42877007 11.80646495
>> 788 1 19.47090505 3.42134363 11.80745489
>> 789 1 17.33712594 3.1977064 13.0409666
>> 790 1 16.16679141 4.05604975 13.04011438
>> 791 1 20.19438793 3.18239464 13.04266873
>> 792 1 21.37353608 4.02875488 13.04303438
>> 793 1 22.27067564 6.742791 13.04326721
>> 794 1 21.82915471 8.12535057 13.04283319
>> 795 1 19.5257021 9.81762024 13.04133045
>> 796 1 18.0743358 9.82541789 13.04044107
>> 797 1 15.75373533 8.15709311 13.03934706
>> 798 1 15.29851744 6.77920164 13.03909101
>> 799 1 18.03811317 2.96441243 14.23835885
>> 800 1 19.48946339 2.95683234 14.23926145
>> 801 1 21.81034797 4.62523195 14.24022619
>> 802 1 22.26605282 6.00313789 14.24046324
>> 803 1 21.39700211 8.72623587 14.23941284
>> 804 1 20.22718866 9.58539675 14.23862635
>> 805 1 16.19053704 8.75344816 14.23661248
>> 806 1 17.36919163 9.60045639 14.23702803
>> 807 1 15.73504888 4.65700392 14.23690181
>> 808 1 15.29405234 6.03948148 14.23647827
>> 809 1 19.94043369 3.5720388 15.47422057
>> 810 1 21.08289167 4.39317004 15.47466338
>> 811 1 16.45828526 4.4171935 15.47231239
>> 812 1 17.5920861 3.58417454 15.47293132
>> 813 1 15.74445475 6.6546101 15.47127499
>> 814 1 16.18601243 7.99057306 15.47132868
>> 815 1 18.0929284 9.36125834 15.47224131
>> 816 1 19.4998284 9.35375073 15.47303274
>> 817 1 21.82009035 6.62298906 15.47467491
>> 818 1 21.39236823 7.96338079 15.47417628
>> 819 1 18.76784233 3.95967746 16.23672652
>> 820 1 16.46427188 5.65198976 16.23524196
>> 821 1 17.36170413 8.36618284 16.23512854
>> 822 1 20.21972641 8.35105857 16.236558
>> 823 1 21.08887037 5.62798925 16.23756232
>> 824 1 18.05947406 7.39426748 16.9755257
>> 825 1 19.51086183 7.38668546 16.9761642
>> 826 1 19.95228612 6.00393397 16.9766871
>> 827 1 18.77375027 5.15670294 16.97632225
>> 828 1 17.60395214 6.01602571 16.97557546
>> 829 1 13.05278007 -3.2696575 10.3034616
>> 830 1 14.50416722 -3.27721949 10.30431606
>> 831 1 14.95977289 -1.8990374 10.3043254
>> 832 1 13.78997797 -1.03972474 10.30345215
>> 833 1 12.61130563 -1.8868468 10.30252778
>> 834 1 11.47490685 -1.51088612 11.0419846
>> 835 1 12.34398111 -4.23411865 11.04305966
>> 836 1 15.20196041 -4.24904399 11.04479414
>> 837 1 16.09944238 -1.53513744 11.0448598
>> 838 1 13.79593525 0.15728628 11.04308765
>> 839 1 16.37775606 -3.87349397 11.80852241
>> 840 1 16.81956216 -2.53766655 11.80864873
>> 841 1 16.10549038 -0.30040703 11.80781411
>> 842 1 14.97164689 0.53257278 11.80706999
>> 843 1 12.62337237 0.54504549 11.80557876
>> 844 1 11.48096224 -0.27608512 11.80499791
>> 845 1 10.74398497 -2.50596519 11.80505906
>> 846 1 11.17144757 -3.84646948 11.80557249
>> 847 1 13.06383507 -5.23681264 11.806659
>> 848 1 14.47071712 -5.24410259 11.807636
>> 849 1 12.33650378 -5.46851704 13.04108414
>> 850 1 11.1668008 -4.60928881 13.04032556
>> 851 1 15.19447185 -5.48330974 13.04279618
>> 852 1 16.37323453 -4.63641151 13.04323381
>> 853 1 17.27062513 -1.92255763 13.04346011
>> 854 1 16.82905336 -0.54006966 13.0430826
>> 855 1 14.52563344 1.15238863 13.04157571
>> 856 1 13.07430865 1.1601985 13.04066941
>> 857 1 10.75382133 -0.50834349 13.03959014
>> 858 1 10.29858252 -1.8861704 13.03929481
>> 859 1 13.03793523 -5.7007916 14.23842166
>> 860 1 14.48930373 -5.70836355 14.23930569
>> 861 1 16.81035194 -4.04013168 14.24036812
>> 862 1 17.26615973 -2.66222737 14.24066751
>> 863 1 16.39712845 0.06084705 14.23977904
>> 864 1 15.22666351 0.91907896 14.23893727
>> 865 1 11.19033027 0.08813265 14.23695844
>> 866 1 12.36958665 0.93427062 14.23733318
>> 867 1 10.73487266 -4.00843531 14.23705994
>> 868 1 10.29392124 -2.62589722 14.2366711
>> ...
>>
>> [Nachricht gekürzt]
>> _______________________________________________
>> DFTB-Plus-User mailing list
>> DFTB-Plus-User at dftb-plus.info
>> http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user
>>
>>
>
> _______________________________________________
> DFTB-Plus-User mailing list
> DFTB-Plus-User at dftb-plus.info
> http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20130513/6f3520a6/attachment-0001.html>
More information about the DFTB-Plus-User
mailing list