[DFTB-Plus-User] Band structure calculations for pentacene (2x2x2) supercell
Bhatt, Mahesh
M.D.Bhatt at warwick.ac.uk
Fri Dec 7 18:32:58 CET 2012
Dear all,
I got the following error for bans structure calculations using DFTB+ for pentacene and C60 (2x2x2) supercells; however, there is no problem with their unit cells.
===============================================================================
==
== Density Functional based Tight Binding with a lot of extensions (DFTB+)
==
== Release: 1.2 (p1)
==
== (ParserVersion = 4)
==
================================================================================
********************************************************************************
** Parsing and initializing
********************************************************************************
Interpreting input file 'dftb_in.hsd'
--------------------------------------------------------------------------------
Reading SK-files:
C-C.skf
C-H.skf
H-C.skf
H-H.skf
Done.
Processed input in HSD format written to 'dftb_pin.hsd'
Starting initialization...
--------------------------------------------------------------------------------
Mode: Static calculation
Self consistent charges: Yes
SCC-tolerance: 0.100000E-04
Max. scc iterations: 1
Ewald alpha parameter: 0.707174E-01
Spin polarisation: No
Nr. of up electrons: 816.000000
Nr. of down electrons: 816.000000
Periodic boundaries: Yes
Diagonalizer: Divide and Conquer
Mixer: Broyden mixer
Mixing parameter: 0.200000
Maximal SCC-cycles: 1
Nr. of chrg. vec. in memory: 1
Electronic temperature: 0.100000E-07
Initial charges: Read in from 'charges.bin'
Included shells: C: s, p
H: s
K-points and weights: 1: 0.500000 0.500000 -0.500000 0.013158
2: 0.475000 0.475000 -0.475000 0.013158
3: 0.450000 0.450000 -0.450000 0.013158
4: 0.425000 0.425000 -0.425000 0.013158
5: 0.400000 0.400000 -0.400000 0.013158
6: 0.375000 0.375000 -0.375000 0.013158
7: 0.350000 0.350000 -0.350000 0.013158
8: 0.325000 0.325000 -0.325000 0.013158
9: 0.300000 0.300000 -0.300000 0.013158
10: 0.275000 0.275000 -0.275000 0.013158
11: 0.250000 0.250000 -0.250000 0.013158
12: 0.225000 0.225000 -0.225000 0.013158
13: 0.200000 0.200000 -0.200000 0.013158
14: 0.175000 0.175000 -0.175000 0.013158
15: 0.150000 0.150000 -0.150000 0.013158
16: 0.125000 0.125000 -0.125000 0.013158
17: 0.100000 0.100000 -0.100000 0.013158
18: 0.075000 0.075000 -0.075000 0.013158
19: 0.050000 0.050000 -0.050000 0.013158
20: 0.025000 0.025000 -0.025000 0.013158
21: 0.000000 0.000000 0.000000 0.013158
22: 0.000000 0.000000 0.011111 0.013158
23: 0.000000 0.000000 0.022222 0.013158
24: 0.000000 0.000000 0.033333 0.013158
25: 0.000000 0.000000 0.044444 0.013158
26: 0.000000 0.000000 0.055556 0.013158
27: 0.000000 0.000000 0.066667 0.013158
28: 0.000000 0.000000 0.077778 0.013158
29: 0.000000 0.000000 0.088889 0.013158
30: 0.000000 0.000000 0.100000 0.013158
31: 0.000000 0.000000 0.111111 0.013158
32: 0.000000 0.000000 0.122222 0.013158
33: 0.000000 0.000000 0.133333 0.013158
34: 0.000000 0.000000 0.144444 0.013158
35: 0.000000 0.000000 0.155556 0.013158
36: 0.000000 0.000000 0.166667 0.013158
37: 0.000000 0.000000 0.177778 0.013158
38: 0.000000 0.000000 0.188889 0.013158
39: 0.000000 0.000000 0.200000 0.013158
40: 0.000000 0.000000 0.211111 0.013158
41: 0.000000 0.000000 0.222222 0.013158
42: 0.000000 0.000000 0.233333 0.013158
43: 0.000000 0.000000 0.244444 0.013158
44: 0.000000 0.000000 0.255556 0.013158
45: 0.000000 0.000000 0.266667 0.013158
46: 0.000000 0.000000 0.277778 0.013158
47: 0.000000 0.000000 0.288889 0.013158
48: 0.000000 0.000000 0.300000 0.013158
49: 0.000000 0.000000 0.311111 0.013158
50: 0.000000 0.000000 0.322222 0.013158
51: 0.000000 0.000000 0.333333 0.013158
52: 0.000000 0.000000 0.344444 0.013158
53: 0.000000 0.000000 0.355556 0.013158
54: 0.000000 0.000000 0.366667 0.013158
55: 0.000000 0.000000 0.377778 0.013158
56: 0.000000 0.000000 0.388889 0.013158
57: 0.000000 0.000000 0.400000 0.013158
58: 0.000000 0.000000 0.411111 0.013158
59: 0.000000 0.000000 0.422222 0.013158
60: 0.000000 0.000000 0.433333 0.013158
61: 0.000000 0.000000 0.444444 0.013158
62: 0.000000 0.000000 0.455556 0.013158
63: 0.000000 0.000000 0.466667 0.013158
64: 0.000000 0.000000 0.477778 0.013158
65: 0.000000 0.000000 0.488889 0.013158
66: 0.000000 0.000000 0.500000 0.013158
67: 0.025000 0.025000 0.475000 0.013158
68: 0.050000 0.050000 0.450000 0.013158
69: 0.075000 0.075000 0.425000 0.013158
70: 0.100000 0.100000 0.400000 0.013158
71: 0.125000 0.125000 0.375000 0.013158
72: 0.150000 0.150000 0.350000 0.013158
73: 0.175000 0.175000 0.325000 0.013158
74: 0.200000 0.200000 0.300000 0.013158
75: 0.225000 0.225000 0.275000 0.013158
76: 0.250000 0.250000 0.250000 0.013158
Extra options:
--------------------------------------------------------------------------------
!!! FAILED : Array Allocation
!!! ERR. NR.: 41
!!! FILE: /local/core313/aradi/trash/dftbp-1.2.1/src/prg_dftb/dftb+.F90
!!! LINE NR.: 322
My input file is as follows:
Geometry = GenFormat {
576 S
C H
1 1 -0.503168362 1.251674296 -2.48875382
2 1 -0.254641453 0.630426504 -1.235575239
3 1 0.381716322 -0.62849805 -1.202337462
4 1 0.760968255 -1.249253222 -2.423714139
5 1 -0.637047672 1.248471995 -0.013357069
6 1 0.631082107 -1.249291074 0.051884897
7 1 -0.387333619 0.628550655 1.180805996
8 1 0.253509305 -0.632572035 1.21427098
9 1 -0.753603416 1.251674296 2.454906998
10 1 -0.505076507 0.630426504 3.708085579
11 1 0.131281267 -0.628498051 3.741323356
12 1 0.510533201 -1.249253223 2.519946679
13 1 -0.887482726 1.248471995 4.930303749
14 1 0.380647053 -1.249291075 4.995545715
15 1 -0.637768673 0.628550655 6.124466814
16 1 0.003074251 -0.632572036 6.157931798
17 1 -0.378427147 1.246292785 -4.985640415
18 1 -0.127474079 0.623263773 -3.762377398
19 1 0.504758223 -0.623173316 -3.729348609
20 1 0.883451332 -1.245709708 -4.921716409
21 1 0.630719325 -0.623590232 -6.145069543
22 1 0.000265962 0.623756393 -6.178008214
23 1 3.73750538 5.013007634 -2.42160689
24 1 3.350454027 4.396307521 -1.201753119
25 1 2.705214927 3.141930645 -1.235696554
26 1 2.455709202 2.521175473 -2.490025024
27 1 3.595894343 5.017991155 0.053356641
28 1 2.318998802 2.524775764 -0.014796084
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30 1 2.567664949 3.144223411 1.180400453
31 1 3.469815254 5.013007634 2.521149629
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225 1 6.046474328 3.557403995 15.42629193
226 1 7.314604107 1.059640926 15.4915339
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228 1 6.937031305 1.676359965 16.65391998
229 1 5.929918584 3.560606296 17.894556
230 1 6.178445493 2.939358504 19.14773458
231 1 6.814803267 1.68043395 19.18097236
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233 1 5.796039274 3.557403995 20.36995275
234 1 7.064169053 1.059640925 20.43519471
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237 1 6.305094853 3.555224785 10.45400859
238 1 6.556047921 2.932195773 11.6772716
239 1 7.188280223 1.685758684 11.71030039
240 1 7.566973332 1.063222292 10.51793259
241 1 7.314241325 1.685341768 9.294579458
242 1 6.683787962 2.932688393 9.261640786
243 1 10.42102738 7.321939634 13.01804211
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245 1 9.388736927 5.450862645 14.20395245
246 1 9.139231202 4.830107473 12.94962398
247 1 10.27941634 7.326923155 15.49300564
248 1 9.002520802 4.833707764 15.42485292
249 1 9.895574539 6.71245903 16.65394677
250 1 9.251186949 5.453155411 16.62004945
251 1 10.15333725 7.321939634 17.96079863
252 1 9.766285902 6.705239521 19.1806524
253 1 9.121046801 5.450862646 19.14670896
254 1 8.871541077 4.830107473 17.89238049
255 1 10.01172622 7.326923155 20.43576216
256 1 8.734830677 4.833707765 20.36760943
257 1 9.627884414 6.71245903 21.59670329
258 1 8.983496824 5.453155411 21.56280597
259 1 10.55085078 7.320196265 10.52140941
260 1 10.16451358 6.701714932 11.71125789
261 1 9.526956427 5.458006451 11.6777305
262 1 9.274974213 4.835470058 10.4523104
263 1 9.659532792 5.454860927 9.262365594
264 1 10.29886856 6.697659872 9.295989316
265 1 5.416831638 8.791674296 -2.48875382
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267 1 6.301716322 6.91150195 -1.202337462
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271 1 5.532666381 8.168550655 1.180805996
272 1 6.173509305 6.907427965 1.21427098
273 1 5.166396584 8.791674296 2.454906998
274 1 5.414923493 8.170426504 3.708085579
275 1 6.051281267 6.91150195 3.741323356
276 1 6.430533201 6.290746777 2.519946679
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278 1 6.300647053 6.290708925 4.995545715
279 1 5.282231327 8.168550655 6.124466814
280 1 5.923074251 6.907427964 6.157931798
281 1 5.541572853 8.786292785 -4.985640415
282 1 5.792525921 8.163263773 -3.762377398
283 1 6.424758223 6.916826684 -3.729348609
284 1 6.803451332 6.294290292 -4.921716409
285 1 6.550719325 6.916409768 -6.145069543
286 1 5.920265962 8.163756393 -6.178008214
287 1 9.65750538 12.55300763 -2.42160689
288 1 9.270454027 11.93630752 -1.201753119
289 1 8.625214927 10.68193065 -1.235696554
290 1 8.375709202 10.06117547 -2.490025024
291 1 9.515894343 12.55799115 0.053356641
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293 1 9.132052539 11.94352703 1.214297772
294 1 8.487664949 10.68422341 1.180400453
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296 1 9.002763902 11.93630752 3.741003399
297 1 8.357524801 10.68193065 3.707059964
298 1 8.108019077 10.06117547 2.452731494
299 1 9.248204218 12.55799116 4.996113159
300 1 7.971308677 10.06477576 4.927960434
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309 1 6.180353638 11.1006063 12.95089518
310 1 6.428880547 10.4793585 14.20407376
311 1 7.065238322 9.22043395 14.23731154
312 1 7.444490255 8.599678778 13.01593486
313 1 6.046474328 11.097404 15.42629193
314 1 7.314604107 8.599640926 15.4915339
315 1 6.296188381 10.47748266 16.620455
316 1 6.937031305 9.216359965 16.65391998
317 1 5.929918584 11.1006063 17.894556
318 1 6.178445493 10.4793585 19.14773458
319 1 6.814803267 9.22043395 19.18097236
320 1 7.194055201 8.599678777 17.95959568
321 1 5.796039274 11.09740399 20.36995275
322 1 7.064169053 8.599640925 20.43519471
323 1 6.045753327 10.47748265 21.56411581
324 1 6.686596251 9.216359964 21.5975808
325 1 6.305094853 11.09522478 10.45400859
326 1 6.556047921 10.47219577 11.6772716
327 1 7.188280223 9.225758684 11.71030039
328 1 7.566973332 8.603222292 10.51793259
329 1 7.314241325 9.225341768 9.294579458
330 1 6.683787962 10.47268839 9.261640786
331 1 10.42102738 14.86193963 13.01804211
332 1 10.03397603 14.24523952 14.23789588
333 1 9.388736927 12.99086265 14.20395245
334 1 9.139231202 12.37010747 12.94962398
335 1 10.27941634 14.86692315 15.49300564
336 1 9.002520802 12.37370776 15.42485292
337 1 9.895574539 14.25245903 16.65394677
338 1 9.251186949 12.99315541 16.62004945
339 1 10.15333725 14.86193963 17.96079863
340 1 9.766285902 14.24523952 19.1806524
341 1 9.121046801 12.99086265 19.14670896
342 1 8.871541077 12.37010747 17.89238049
343 1 10.01172622 14.86692316 20.43576216
344 1 8.734830677 12.37370776 20.36760943
345 1 9.627884414 14.25245903 21.59670329
346 1 8.983496824 12.99315541 21.56280597
347 1 10.55085078 14.86019626 10.52140941
348 1 10.16451358 14.24171493 11.71125789
349 1 9.526956427 12.99800645 11.6777305
350 1 9.274974213 12.37547006 10.4523104
351 1 9.659532792 12.99486093 9.262365594
352 1 10.29886856 14.23765987 9.295989316
353 2 -0.996913046 2.230056699 -2.505755588
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355 2 -1.132045313 2.224599485 -0.049446673
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359 2 -1.382480367 2.224599484 4.894214145
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362 2 -0.931370671 1.100536105 7.067820725
363 2 -0.875835856 2.23045469 -5.010838053
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367 2 4.239215515 5.986842358 -2.386423516
368 2 1.95620175 1.546867055 -2.508064191
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371 2 3.97152539 5.986842359 2.556333002
372 2 1.688511625 1.546867055 2.434692327
373 2 3.827819828 5.992299573 5.012155253
374 2 1.552774643 1.550467347 4.891947607
375 2 2.003535797 2.673128571 7.065504866
376 2 3.13063424 4.879150624 7.12554487
377 2 4.371760952 5.991788027 -4.890920521
378 2 2.087020037 1.546014296 -5.014657666
379 2 2.775231817 2.657457729 -7.144556734
380 2 3.919416069 4.877199071 -7.083591396
381 2 -0.233391046 4.538988699 12.93389341
382 2 2.019589082 0.083551288 13.05002703
383 2 -0.368523313 4.533531485 15.39020233
384 2 1.890613607 0.083513436 15.50764911
385 2 -0.4838261 4.538988699 17.87755423
386 2 1.769154028 0.083551288 17.99368784
387 2 -0.618958367 4.533531484 20.33386315
388 2 1.640178553 0.083513436 20.45130993
389 2 0.95579342 1.201626981 22.56539226
390 2 -0.167848671 3.409468105 22.50746972
391 2 -0.112313856 4.53938669 10.42881095
392 2 2.144382041 0.079060387 10.54313023
393 2 1.689691189 1.194141963 8.35332172
394 2 0.564970613 3.423888198 8.295344551
395 2 5.002737515 8.295774358 13.05322548
396 2 2.71972375 3.855799055 12.93158481
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398 2 2.583986769 3.859399346 15.38884009
399 2 4.73504739 8.295774359 17.995982
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401 2 4.591341828 8.301231573 20.45180425
402 2 2.316296643 3.859399347 20.33159661
403 2 2.767057797 4.982060571 22.50515387
404 2 3.89415624 7.188082624 22.56519387
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406 2 2.850542037 3.854946296 10.42499133
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411 2 -1.132045313 9.764599485 -0.049446673
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415 2 -1.382480367 9.764599484 4.894214145
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424 2 1.95620175 9.086867055 -2.508064191
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427 2 3.97152539 13.52684236 2.556333002
428 2 1.688511625 9.086867055 2.434692327
429 2 3.827819828 13.53229957 5.012155253
430 2 1.552774643 9.090467347 4.891947607
431 2 2.003535797 10.21312857 7.065504866
432 2 3.13063424 12.41915062 7.12554487
433 2 4.371760952 13.53178803 -4.890920521
434 2 2.087020037 9.086014296 -5.014657666
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439 2 -0.368523313 12.07353148 15.39020233
440 2 1.890613607 7.623513436 15.50764911
441 2 -0.4838261 12.0789887 17.87755423
442 2 1.769154028 7.623551288 17.99368784
443 2 -0.618958367 12.07353148 20.33386315
444 2 1.640178553 7.623513436 20.45130993
445 2 0.95579342 8.741626981 22.56539226
446 2 -0.167848671 10.94946811 22.50746972
447 2 -0.112313856 12.07938669 10.42881095
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449 2 1.689691189 8.734141963 8.35332172
450 2 0.564970613 10.9638882 8.295344551
451 2 5.002737515 15.83577436 13.05322548
452 2 2.71972375 11.39579905 12.93158481
453 2 4.859031953 15.84123157 15.50904774
454 2 2.583986769 11.39939935 15.38884009
455 2 4.73504739 15.83577436 17.995982
456 2 2.452033625 11.39579906 17.87434133
457 2 4.591341828 15.84123157 20.45180425
458 2 2.316296643 11.39939935 20.33159661
459 2 2.767057797 12.52206057 22.50515387
460 2 3.89415624 14.72808262 22.56519387
461 2 5.135282952 15.84072003 10.54872848
462 2 2.850542037 11.3949463 10.42499133
463 2 3.538753817 12.50638973 8.295092266
464 2 4.682938069 14.72613107 8.356057604
465 2 4.923086954 2.230056699 -2.505755588
466 2 7.176067082 -2.225380712 -2.389621974
467 2 4.787954687 2.224599485 -0.049446673
468 2 7.047091607 -2.225418564 0.068000114
469 2 4.6726519 2.230056699 2.43790523
470 2 6.925632028 -2.225380712 2.554038844
471 2 4.537519633 2.224599484 4.894214145
472 2 6.796656553 -2.225418564 5.011660932
473 2 6.11227142 -1.107305019 7.12574326
474 2 4.988629329 1.100536105 7.067820725
475 2 5.044164144 2.23045469 -5.010838053
476 2 7.300860041 -2.229871613 -4.896518771
477 2 6.846169189 -1.114790037 -7.08632728
478 2 5.721448613 1.114956198 -7.144304449
479 2 10.15921551 5.986842358 -2.386423516
480 2 7.87620175 1.546867055 -2.508064191
481 2 10.01550995 5.992299573 0.069398735
482 2 7.740464769 1.550467346 -0.050808911
483 2 9.89152539 5.986842359 2.556333002
484 2 7.608511625 1.546867055 2.434692327
485 2 9.747819828 5.992299573 5.012155253
486 2 7.472774643 1.550467347 4.891947607
487 2 7.923535797 2.673128571 7.065504866
488 2 9.05063424 4.879150624 7.12554487
489 2 10.29176095 5.991788027 -4.890920521
490 2 8.007020037 1.546014296 -5.014657666
491 2 8.695231817 2.657457729 -7.144556734
492 2 9.839416069 4.877199071 -7.083591396
493 2 5.686608954 4.538988699 12.93389341
494 2 7.939589082 0.083551288 13.05002703
495 2 5.551476687 4.533531485 15.39020233
496 2 7.810613607 0.083513436 15.50764911
497 2 5.4361739 4.538988699 17.87755423
498 2 7.689154028 0.083551288 17.99368784
499 2 5.301041633 4.533531484 20.33386315
500 2 7.560178553 0.083513436 20.45130993
501 2 6.87579342 1.201626981 22.56539226
502 2 5.752151329 3.409468105 22.50746972
503 2 5.807686144 4.53938669 10.42881095
504 2 8.064382041 0.079060387 10.54313023
505 2 7.609691189 1.194141963 8.35332172
506 2 6.484970613 3.423888198 8.295344551
507 2 10.92273751 8.295774358 13.05322548
508 2 8.63972375 3.855799055 12.93158481
509 2 10.77903195 8.301231573 15.50904774
510 2 8.503986769 3.859399346 15.38884009
511 2 10.65504739 8.295774359 17.995982
512 2 8.372033625 3.855799055 17.87434133
513 2 10.51134183 8.301231573 20.45180425
514 2 8.236296643 3.859399347 20.33159661
515 2 8.687057797 4.982060571 22.50515387
516 2 9.81415624 7.188082624 22.56519387
517 2 11.05528295 8.300720027 10.54872848
518 2 8.770542037 3.854946296 10.42499133
519 2 9.458753817 4.966389729 8.295092266
520 2 10.60293807 7.186131071 8.356057604
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522 2 7.176067082 5.314619288 -2.389621974
523 2 4.787954687 9.764599485 -0.049446673
524 2 7.047091607 5.314581436 0.068000114
525 2 4.6726519 9.770056699 2.43790523
526 2 6.925632028 5.314619288 2.554038844
527 2 4.537519633 9.764599484 4.894214145
528 2 6.796656553 5.314581436 5.011660932
529 2 6.11227142 6.432694981 7.12574326
530 2 4.988629329 8.640536105 7.067820725
531 2 5.044164144 9.77045469 -5.010838053
532 2 7.300860041 5.310128387 -4.896518771
533 2 6.846169189 6.425209963 -7.08632728
534 2 5.721448613 8.654956198 -7.144304449
535 2 10.15921551 13.52684236 -2.386423516
536 2 7.87620175 9.086867055 -2.508064191
537 2 10.01550995 13.53229957 0.069398735
538 2 7.740464769 9.090467346 -0.050808911
539 2 9.89152539 13.52684236 2.556333002
540 2 7.608511625 9.086867055 2.434692327
541 2 9.747819828 13.53229957 5.012155253
542 2 7.472774643 9.090467347 4.891947607
543 2 7.923535797 10.21312857 7.065504866
544 2 9.05063424 12.41915062 7.12554487
545 2 10.29176095 13.53178803 -4.890920521
546 2 8.007020037 9.086014296 -5.014657666
547 2 8.695231817 10.19745773 -7.144556734
548 2 9.839416069 12.41719907 -7.083591396
549 2 5.686608954 12.0789887 12.93389341
550 2 7.939589082 7.623551288 13.05002703
551 2 5.551476687 12.07353148 15.39020233
552 2 7.810613607 7.623513436 15.50764911
553 2 5.4361739 12.0789887 17.87755423
554 2 7.689154028 7.623551288 17.99368784
555 2 5.301041633 12.07353148 20.33386315
556 2 7.560178553 7.623513436 20.45130993
557 2 6.87579342 8.741626981 22.56539226
558 2 5.752151329 10.94946811 22.50746972
559 2 5.807686144 12.07938669 10.42881095
560 2 8.064382041 7.619060387 10.54313023
561 2 7.609691189 8.734141963 8.35332172
562 2 6.484970613 10.9638882 8.295344551
563 2 10.92273751 15.83577436 13.05322548
564 2 8.63972375 11.39579905 12.93158481
565 2 10.77903195 15.84123157 15.50904774
566 2 8.503986769 11.39939935 15.38884009
567 2 10.65504739 15.83577436 17.995982
568 2 8.372033625 11.39579906 17.87434133
569 2 10.51134183 15.84123157 20.45180425
570 2 8.236296643 11.39939935 20.33159661
571 2 8.687057797 12.52206057 22.50515387
572 2 9.81415624 14.72808262 22.56519387
573 2 11.05528295 15.84072003 10.54872848
574 2 8.770542037 11.3949463 10.42499133
575 2 9.458753817 12.50638973 8.295092266
576 2 10.60293807 14.72613107 8.356057604
0.000000 0.0000000 0.000000
11.8400000000000 0.000000000000000E+000 0.000000000000000E+000
0.000000000000000E+000 15.0800000000000 0.000000000000000E+000
1.52704400000000 4.61786400000000 30.8792980000000
}
Hamiltonian = DFTB {
SCC = Yes
ReadInitialCharges = Yes
MaxSCCIterations = 1
SlaterKosterFiles {
C-C = "C-C.skf"
C-H = "C-H.skf"
H-C = "H-C.skf"
H-H = "H-H.skf"
}
MaxAngularMomentum {
C = "p"
H = "s"
}
Filling = Fermi {
Temperature [Kelvin] = 0.0
}
KPointsAndWeights = Klines {
1 0.5 0.5 -0.5 # Z
20 0.0 0.0 0.0 # G
45 0.0 0.0 0.5 # X
10 0.25 0.25 0.25 # P
}
}
ParserOptions {
ParserVersion = 4
}
Plz let me know the error in input file or due to large size, memory problem. Is there any way to calculate such band spectra? I am beginner to calculate band structure of the solid crystal supercells.
Mahesh Bhatt
University of Warwick
UK
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