[DFTB-Plus-User] SK parameters for Phosphorus for LC-TD-DFTB
Thomas Niehaus
thomas.niehaus at univ-lyon1.fr
Wed Feb 7 09:52:36 CET 2024
Dear Dave,
I think it is safe to say that the accuracy of delta SCF is generally
lower than TD-DFTB, but the former is a faster method. Besides speed the
biggest plus of delta SCF is the correct treatment of CT transitions,
but this you will also get with TD-LC-DFTB. As usual you will have to
decide what is more important to you in your project.
Best regards
- Thomas
On 2/7/24 9:03 AM, Mgcf Departmental via DFTB-Plus-User wrote:
> Hi Thomas,
>
> Thanks for figuring this out, and sorry for the delay in responding.
> Setting the subspace factor to 50, I tested values of OMP_NUM_THREADS
> of 16 and 1, and each job took about 10.5 hours. As an alternative to
> TD-DFTB, I was looking into using delta SCF or NonAufbau calculations
> in DFTB+, again using LC-DFTB, which I found to be quite efficient for
> these kinds of systems. However, I noticed that for the unsolvated
> test molecule we've been discussing, the excitation energy is too high
> by 0.4-0.5 eV (compared to coupled cluster data), while the TD-LC-DFTB
> number is less than 0.1 eV off. I was wondering if you've encountered
> this sort of thing, and if you have any thoughts on what might be done.
>
> best,
> Dave
>
>
> Dr Kathleen A Durkin, Dr Dave Small and Dr. Azhagiya Singam
> Molecular Graphics and Computation Facility, College of Chemistry
> University of California, Berkeley, CA 94720-1460
> https://mgcf.cchem.berkeley.edu/
> <https://MailInBlack.univ-lyon1.fr/securelink/?url=https://mgcf.cchem.berkeley.edu&key=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>
>
>
>
>
> On Tue, Jan 30, 2024 at 7:12 AM Thomas Niehaus
> <thomas.niehaus at univ-lyon1.fr <mailto:thomas.niehaus at univ-lyon1.fr>>
> wrote:
>
> Dear David,
>
> the job ran smoothly using dftb+ version 23, see attached output
> file. I enlarged the SubSpaceFactor to 50. 5 seems too small. The
> job indeed takes roughly 3 hours to complete and several GB of
> memory.
>
> You may also set OMP_NUM_THREADS to one. Sometimes the OpenMP
> _slows_ the calculation down.
>
> Do you get the output after "Iteration Subspace dimension"?
>
> Best Thomas
>
>
> -------------------------
>
> |===============================================================================
> |
> | DFTB+ development version (commit: cf690f72, base: 23.1)
> |
> | Copyright (C) 2006 - 2023 DFTB+ developers group
> |
> |===============================================================================
> |
> | When publishing results obtained with DFTB+, please cite the
> following
> | reference:
> |
> | * DFTB+, a software package for efficient approximate density
> functional
> | theory based atomistic simulations, J. Chem. Phys. 152,
> 124101 (2020).
> | [doi: 10.1063/1.5143190]
> |
> | You should also cite additional publications crediting the
> parametrization
> | data you use. Please consult the documentation of the SK-files
> for the
> | references.
> |
> |===============================================================================
>
> Reading input file 'dftb_in.hsd'
> Parser version: 14
>
> --------------------------------------------------------------------------------
> Reading SK-files:
> /data1/niehaus/SK-SVN/ob2-1-1/shift/C-C.skf
> /data1/niehaus/SK-SVN/ob2-1-1/shift/C-H.skf
> /data1/niehaus/SK-SVN/ob2-1-1/shift/C-N.skf
> /data1/niehaus/SK-SVN/ob2-1-1/shift/H-H.skf
> /data1/niehaus/SK-SVN/ob2-1-1/shift/H-N.skf
> /data1/niehaus/SK-SVN/ob2-1-1/shift/N-N.skf
> Done.
>
>
> Processed input in HSD format written to 'dftb_pin.hsd'
>
> Starting initialization...
> --------------------------------------------------------------------------------
> OpenMP threads: 20
> Chosen random seed: 20126805
> Current stacksize: unlimited
> Mode: Static calculation
> Self consistent charges: Yes
> SCC-tolerance: 0.100000E-06
> Max. scc iterations: 200
> Shell resolved Hubbard: No
> Spin polarisation: No
> Nr. of up electrons: 348.000000
> Nr. of down electrons: 348.000000
> Periodic boundaries: No
> Electronic solver: Relatively robust
> Casida solver: Stratmann, SubSpace: 50
> Mixer: Broyden mixer
> Mixing parameter: 0.200000
> Maximal SCC-cycles: 200
> Nr. of chrg. vec. in memory: 200
> Electronic temperature: 0.100000E-07 H 0.272114E-06 eV
> Initial charges: Set automatically (system chrg:
> 0.000E+00)
> Included shells: C: s, p
> H: s
> N: s, p
> Range separated hybrid: Yes
> Screening parameter omega: 0.300000E+00
> Range separated algorithm: MatrixBased
> Extra options:
> Mulliken analysis
>
> --------------------------------------------------------------------------------
>
> *** Geometry step: 0
>
> iSCC Total electronic Diff electronic SCC error
> 1 0.00000000E+00 0.00000000E+00 0.12542912E+01
> 2 -0.36024610E+03 -0.36024610E+03 0.10050731E+01
> 3 -0.36109361E+03 -0.84751574E+00 0.14891967E+00
> 4 -0.37429106E+03 -0.13197452E+02 0.55799849E-01
> 5 -0.37477420E+03 -0.48313434E+00 0.16149006E-01
> 6 -0.37501438E+03 -0.24017716E+00 0.60834179E-02
> 7 -0.37498322E+03 0.31155736E-01 0.47831037E-02
> 8 -0.37498363E+03 -0.40848634E-03 0.46502386E-03
> 9 -0.37498010E+03 0.35234653E-02 0.19491124E-03
> 10 -0.37498072E+03 -0.61257492E-03 0.18293828E-03
> 11 -0.37498085E+03 -0.13779427E-03 0.66497762E-04
> 12 -0.37498111E+03 -0.25726137E-03 0.18102344E-04
> 13 -0.37498112E+03 -0.81703823E-05 0.12845403E-04
> 14 -0.37498112E+03 -0.35141761E-05 0.35321772E-05
> 15 -0.37498111E+03 0.12004654E-04 0.12369835E-05
> 16 -0.37498111E+03 0.33531218E-05 0.80222897E-06
> 17 -0.37498111E+03 0.11967474E-05 0.57845593E-06
> 18 -0.37498111E+03 -0.89000696E-06 0.21982550E-06
> 19 -0.37498111E+03 -0.17003299E-06 0.51144077E-07
> >> Charges saved for restart in charges.bin
>
> >> Stratmann diagonalisation of response matrix
> Total dimension of A+B: 106488 initial subspace: 200
> Iteration Subspace dimension
> 1 204
> 2 208
> 3 212
> 4 214
> 5 216
> 6 218
> 7 220
> 8 221
> 9 225
> 10 231
> 11 237
> 12 242
> 13 247
> >> Stratmann converged
>
> Total Energy: -361.1168003037 H -9826.4881 eV
> Extrapolated to 0K: -361.1168003037 H -9826.4881 eV
> Total Mermin free energy: -361.1168003037 H -9826.4881 eV
> Force related energy: -361.1168003037 H -9826.4881 eV
>
>
> --------------------------------------------------------------------------------
> DFTB+ running times cpu [s]
> wall clock [s]
> --------------------------------------------------------------------------------
> Global initialisation + 0.01 ( 0.0%)
> 0.04 ( 0.0%)
> Pre-SCC initialisation + 0.45 ( 0.0%)
> 0.04 ( 0.0%)
> SCC + 51.30 ( 0.3%)
> 2.79 ( 0.0%)
> Post-SCC processing + 15627.07 ( 99.7%)
> 12876.72 (100.0%)
> --------------------------------------------------------------------------------
> Missing + 0.01 ( 0.0%)
> 0.00 ( 0.0%)
> Total = 15678.83 (100.0%)
> 12879.59 (100.0%)
>
> On 1/29/24 11:18 PM, Mgcf Departmental via DFTB-Plus-User wrote:
>> Thanks, Thomas, I've attached the input file and the
>> corresponding structure file.
>> best,
>> David
>>
>>
>> Dr Kathleen A Durkin, Dr Dave Small and Dr. Azhagiya Singam
>> Molecular Graphics and Computation Facility, College of Chemistry
>> University of California, Berkeley, CA 94720-1460
>> https://mgcf.cchem.berkeley.edu/
>> <https://MailInBlack.univ-lyon1.fr/securelink/?url=https://MailInBlack.univ-lyon1.fr&key=eyJsYW5nIjoiRlIiLCJ1cmwiOiJodHRwczovL01haWxJbkJsYWNrLnVuaXYtbHlvbjEuZnIvc2VjdXJlbGluay8_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>
>>
>>
>>
>>
>> On Mon, Jan 29, 2024 at 1:16 AM Thomas Niehaus
>> <thomas.niehaus at univ-lyon1.fr
>> <mailto:thomas.niehaus at univ-lyon1.fr>> wrote:
>>
>> Dear David,
>>
>> OpenMP is not very effective for TD-DFTB. I am currently
>> working on an MPI parallel code. Can you send me your
>> structure/input file? Then I can have a quick look what might
>> be going on.
>>
>> Best Thomas
>>
>> On 1/26/24 10:58 PM, Mgcf Departmental via DFTB-Plus-User wrote:
>>> Hi Thomas,
>>>
>>> Thanks for your reply. I totally understand, regarding the
>>> difficulty of creating new parameters, so I think I'll look
>>> into creating an analogue of my molecule that contains e.g.
>>> a nitrogen atom instead of P. By the way, I was wondering
>>> if I could ask you another question about TD-LC-DFTB. A
>>> test on a small molecule (21 atoms) went smoothly, but I
>>> then tried adding 40 solvent molecules (for 261 atoms in
>>> total), and the calculation gets stuck after the SCC (which
>>> itself finishes in only a minute or so). I figured that I'm
>>> perhaps missing something in the input file, or in the
>>> environment variables. I'm using a fairly simply input file,
>>> with a TD section like this:
>>>
>>> ExcitedState {
>>>
>>> Casida {
>>>
>>> NrOfExcitations = 4
>>>
>>> Symmetry = Singlet
>>>
>>> Diagonaliser = Stratmann {SubSpaceFactor = 5}
>>>
>>> }
>>>
>>>
>>> I'm using "ulimit -s unlimited", and I've tried setting
>>> OMP_NUM_THREADS to either 4, 8, 16, or 32 core, and both
>>> with or without setting MKL_NUM_THREADS to the same number.
>>> I've also tried the calculation both with and without the
>>> following:
>>>
>>> export OMP_STACKSIZE=6G
>>>
>>> export OMP_MAX_ACTIVE_LEVELS=1
>>>
>>>
>>> In each case, the calculation gets stuck at the point in the
>>> output file where it writes "Stratmann diagonalisation of
>>> response matrix", and appears to make no progress for
>>> several hours. Do you have any suggestions?
>>>
>>> best,
>>> David
>>>
>>>
>>> Dr Kathleen A Durkin, Dr Dave Small and Dr. Azhagiya Singam
>>> Molecular Graphics and Computation Facility, College of
>>> Chemistry
>>> University of California, Berkeley, CA 94720-1460
>>> https://mgcf.cchem.berkeley.edu/
>>> <https://MailInBlack.univ-lyon1.fr/securelink/?url=https://MailInBlack.univ-lyon1.fr&key=eyJsYW5nIjoiRlIiLCJ1cmwiOiJodHRwczovL01haWxJbkJsYWNrLnVuaXYtbHlvbjEuZnIvc2VjdXJlbGluay8_dXJsPWh0dHBzOi8vbWdjZi5jY2hlbS5iZXJrZWxleS5lZHUma2V5PWV5SnNZVzVuSWpvaVJsSWlMQ0oxY213aU9pSm9kSFJ3Y3pvdkwyMW5ZMll1WTJOb1pXMHVZbVZ5YTJWc1pYa3VaV1IxTHlJc0luUnZhMlZ1SWpvaVowRkJRVUZCUW14MFEzTjBUR280VGxFelpXMTNUSGRzYW1NeVJ6bHZVVUpRTTBsaldUUTRObWhuVEdwVGFHOUtSMUZKU0VSTVdEWnVXR3B0T0VsZkxWbzNkWEk1V2poVldtVnRkbXd6VFRGck9YVmhPWEptTUZnM2JWZE5iazVHYUhGc1ZVeHpWMjVsZUZwYWRXVm1RVEpvUWxWTWNXbDRlRWxhWjNwRFVGRTNYMncwYzBsZk9VZGxlalJhTFMxUldHUlhOMk5KVG1ZeVdHMHpNWEEwV200MVVYcHJlbEZ2UTIwMGJVdG5SalJ5TFV0RFExVnliMWx6Ymw4M056SnVVVTVOWm00eVkybFVjMDVhWDIweFUwVjZUekJ2V2xjd01VNDBPVWRZVW1KWVFuZHJiWFZYYlRkcmFIQm9SVXBQZWpWRlVHaFpjbEpFZUVOeGMwNUxabmR1ZWpOaU56TmhaMU5OWWt4SVNYUmZTMWxxZEhKNWRXZHFUa1JTYWt0cE1tNWpia05tV1VWMVVrcGhjVk5HUXkxM1gzZDNOazQzUVZGV0xUSmpZV1ZuTjFwbU4wTXRObkJQUVV3aWZRPT0iLCJ0b2tlbiI6ImdBQUFBQUJsdUNRNGNiQTgxN0d1ZzZmSW9DMV85YnBRdzRRb0M1SjJsaWkxV01sbVBiMVZxSnhOb3N0WmZMTTlTcjlGM0VfQ3ZsckpYXzhmcFFBdDZweXpxazJRZ3l0TVRQNVdMU0x6cnVZNGJGY3JhREhib2Zoa2dJdlk3MlMwWFBOQ1hZU0VkUFdZazdtYVBoVkhmUU56Z1UwVjZnNkoyOXcwdG1NUDVzSGV5bzJYYU4zZUZxMVphZGpTZWNFYVc5NkFFSmJkaEdJZ2Nyb3ozNUVDWTR2NkstQ0VEMG1LMlpmaGRSRmRhdTBOdF9tUzd3bDI3UmlXTkJwRkpsYi0wc1FsQWp1SG5ZTmMwVkx1UDd4VE5pVHZNUU5jWUh6S3V4Y0FrMGZzT0ZZR0N0SzFvQzFGRWpaSGRNWGRRM0JWUkFVN3FNek1QcHFFIn0=>
>>>
>>>
>>>
>>>
>>> On Fri, Jan 26, 2024 at 2:52 AM Thomas Niehaus
>>> <thomas.niehaus at univ-lyon1.fr
>>> <mailto:thomas.niehaus at univ-lyon1.fr>> wrote:
>>>
>>> Dear David,
>>>
>>> there are currently no parameters for P. I can create
>>> them, but this might take some time and work.
>>>
>>> Best Thomas
>>>
>>> On 1/26/24 12:55 AM, Mgcf Departmental via
>>> DFTB-Plus-User wrote:
>>>> Hi,
>>>>
>>>> I'm interested in doing LC-TD-DFTB calculations on a
>>>> molecule that contains (C, H, N, O, P) atoms. I've
>>>> used the ob2 slater-koster set for a related molecule
>>>> with just C,H,N,O atoms, and the results were
>>>> promising, so I'd like to apply the method to the
>>>> P-containing molecule as well. Does anyone know if
>>>> there exist compatible SK parameters for this? I've
>>>> tried searching the web but didn't find anything.
>>>>
>>>> thanks,
>>>> David Small
>>>>
>>>>
>>>> Dr Kathleen A Durkin, Dr Dave Small and Dr. Azhagiya
>>>> Singam
>>>> Molecular Graphics and Computation Facility, College of
>>>> Chemistry
>>>> University of California, Berkeley, CA 94720-1460
>>>> https://mgcf.cchem.berkeley.edu/
>>>> <https://MailInBlack.univ-lyon1.fr/securelink/?url=https://MailInBlack.univ-lyon1.fr&key=eyJsYW5nIjoiRlIiLCJ1cmwiOiJodHRwczovL01haWxJbkJsYWNrLnVuaXYtbHlvbjEuZnIvc2VjdXJlbGluay8_dXJsPWh0dHBzOi8vbWdjZi5jY2hlbS5iZXJrZWxleS5lZHUma2V5PWV5SnNZVzVuSWpvaVJsSWlMQ0oxY213aU9pSm9kSFJ3Y3pvdkwyMW5ZMll1WTJOb1pXMHVZbVZ5YTJWc1pYa3VaV1IxTHlJc0luUnZhMlZ1SWpvaVowRkJRVUZCUW14emRsVnZMV2xTVWtaVmJVOHhhMWxNZUdOVVZuUlhNVjlIYm1WSVVrTnljR2RtYXpjd1dXSlZjbW8yVG5KSmEwUk9XR1pCWTJoUGVHTlJkazVFUm1KSWQyVjRNakJUVTJkRU1uSk9ZVXhGUzJKdFQxbFBYMGN3YjFkeGNrRmxiVlpOYjBOWFlsaEZWRXd3YWxKeFRFeHhkMmxuWlZaRlYzQkliamhqYUV4S1EzWTVTWGgwTmpCRWIzZFljVU5xU1VGWWNHOVJlRk5ZYkZkRmNsSnZkMlJrTkZob2RVSXhiMWxzTTFSWGFWSmtUWE5JY21ndGVuZFFMVjlwZUVoT04ycHBOblJLY0VkSVdraDJWMTlKTWt4NFZ6RTJZM0JETkVoeE1rZFBNV2RqUzJodVYxZHZWR2RVU1VSbllXRjNWM0psU0c1Tk1WcHNSR050WTBKeU9XbGtUekJJYkdnMllqQTJiVzF6V21GYVZUZHdkRWQ2UzBrdFZYTmlOV2R3VkVKVmVGQkhjVUZ0T1dGd1MxcFhaR0ZZVEdaZmVXZE5UVk5GWVc5YU4wdFVkalU1TjBzaWZRPT0iLCJ0b2tlbiI6ImdBQUFBQUJsdENzdGRhUVE4ejVfMl9rcVpZaE81VHRLMHRvdGVkNXltVi1RMDg5cjNPQzR3bmYzUnA3Nl95dFVqaXlKcHVEZlFrOHVsM0REUTI1RGFQS01zV3BxUEZhZlliNTNCTzJiWjlTNHRqM1F4ZktVdEZTWW13RXpTaWROb0wwN3gyejJhNUVpc09LZ1dTMTNDRXRyaGx6S1VnNnlWRHlPZzZwekJ4N3MyVVRUWHlGWlFBVGNHSjdvTVBaTmx0LWloQXNaOWxSOUI5RHZZNGdLVHIwc09veExCNzRRSmZ4bEczVzlIVlBTTTJ3cGdDS0lmbDNvRDdHaV9oYzM5aXh4TmJzSFlRRFZDTXlhQTA0VjJ2X0RzOXJNa29Mc3FXeVVYRXY5M3JzenB5Z293Mk52REtDa0JKMVR3LXpKMW0zUVVnQW5aU0lwIn0=>
>>>>
>>>>
>>>>
>>>> _______________________________________________
>>>> DFTB-Plus-User mailing list
>>>> DFTB-Plus-User at mailman.zfn.uni-bremen.de <mailto:DFTB-Plus-User at mailman.zfn.uni-bremen.de>
>>>> https://MailInBlack.univ-lyon1.fr/securelink/?url=https://mailman.zfn.uni-bremen.de&key=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 <https://MailInBlack.univ-lyon1.fr/securelink/?url=https://MailInBlack.univ-lyon1.fr&key=eyJsYW5nIjoiRlIiLCJ1cmwiOiJodHRwczovL01haWxJbkJsYWNrLnVuaXYtbHlvbjEuZnIvc2VjdXJlbGluay8_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>
>>>
>>> --
>>> Prof. Dr. Thomas Niehaus
>>> Institut Lumière Matière
>>> UMR5306 CNRS
>>> Université Claude Bernard Lyon 1
>>> Domaine Scientifique de La Doua
>>> 10 rue Ada Byron
>>> 69622 Villeurbanne CEDEX, France
>>> --
>>> Office: Brillouin building, 4th floor, room 006
>>> Tel: +33 472 431 571
>>> Home page:http://ilm-perso.univ-lyon1.fr/~tniehaus <https://MailInBlack.univ-lyon1.fr/securelink/?url=https://MailInBlack.univ-lyon1.fr&key=eyJsYW5nIjoiRlIiLCJ1cmwiOiJodHRwczovL01haWxJbkJsYWNrLnVuaXYtbHlvbjEuZnIvc2VjdXJlbGluay8_dXJsPWh0dHA6Ly9pbG0tcGVyc28udW5pdi1seW9uMS5mciZrZXk9ZXlKc1lXNW5Jam9pUmxJaUxDSjFjbXdpT2lKb2RIUndPaTh2YVd4dExYQmxjbk52TG5WdWFYWXRiSGx2YmpFdVpuSXZmblJ1YVdWb1lYVnpJaXdpZEc5clpXNGlPaUpuUVVGQlFVRkNiSFJEYzNSMFh6ZGZaa3d5Ym1wYWVWTm9aMWRCZFd0cVRVMXNVR2RNYzFaQmNFNTVjbGhwUmtsMU9WSjRjV2t6V1Zwd01GWlFjRnBYVVY5dE1YSTJNMlUzVjBZeWNFNVdUMUI0ZEhwVVpXRnNPVFZNUlVReVgzcGtla2RUYUhWNFUzSkdjSE15YUhkUVQwVnBkVzl1Y2xSQ1JFcE5kM2xPUW5kTU0yNXFPR05rTldac2FqTjNURmxzZWtOS2VGTjRZbU51WlhOZlMweHhWRXRQUld0dGNIWTFSVk16ZWpSclpuZHliVkU1V1ZwQlR6TmxYMVYyYVZOdFRFNVhVelJrUkRjeVlVeE9RbUZrUkhseGJYRnJTMjVmYzJwUE5EVlJUVXhOYkVoR1lUVnZjRTVaVjFKT01YaFJUME0wVEVGQ1h6UkpUamhNZUdzemRISXlZazl5U2w5emQwRmhZV1UxZEMxblJHeFRXbmhJVjI1S01EVmtNbkpuVmxGblgwUldMVmRFU2s4d1oxOVhPRWt0WW14aE5uUm9hVGhhWTNCMFRsTllhemRaTVZNd1NYbGtMU0o5IiwidG9rZW4iOiJnQUFBQUFCbHVDUTRNV2ItYU5taUVBUXJOUk5LN1RnRGxqMERCVkpZam80T2dhQjhzcHhldkxEXzRBa0ktR3pXVUFTaURaR3NrVWRvTi1yNkZMZnhpaHlWWm5ESTI1Q3hPUVVHbGZINXJCa0doaXBJNHlYNkp4LVc2djFFSFg2UGF4b2VtVk5UOFBOeF9zdDVwN19aalVLcEVkdzNGUXEtTmNubm1ybG1OcUhKbk52ejI4emxnWXpTZjFubWZJT3JpV2xkRzJ6RjU3VlBLYnBjTEl6UW9vdi12LTVKOGpoOTlKbTNyMnFyNmJUaGhDbG0xVzdBS0hrbUdaclJNQngwQkVveHNCcG8yYmliamFVOXdBdmZHdEk5Z1hWSEN1TGROQ1pCeFZRUDR0MUpfM2puSXVfZEMydDRYOC15dk1kZi1peEkzNGczaUNRXyJ9>
>>> Lab:http://ilm.univ-lyon1.fr <https://MailInBlack.univ-lyon1.fr/securelink/?url=https://MailInBlack.univ-lyon1.fr&key=eyJsYW5nIjoiRlIiLCJ1cmwiOiJodHRwczovL01haWxJbkJsYWNrLnVuaXYtbHlvbjEuZnIvc2VjdXJlbGluay8_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>
>>>
>>>
>>> _______________________________________________
>>> DFTB-Plus-User mailing list
>>> DFTB-Plus-User at mailman.zfn.uni-bremen.de
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>>> <https://MailInBlack.univ-lyon1.fr/securelink/?url=https://MailInBlack.univ-lyon1.fr&key=eyJsYW5nIjoiRlIiLCJ1cmwiOiJodHRwczovL01haWxJbkJsYWNrLnVuaXYtbHlvbjEuZnIvc2VjdXJlbGluay8_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>
>>>
>>>
>>>
>>> _______________________________________________
>>> DFTB-Plus-User mailing list
>>> DFTB-Plus-User at mailman.zfn.uni-bremen.de <mailto:DFTB-Plus-User at mailman.zfn.uni-bremen.de>
>>> https://MailInBlack.univ-lyon1.fr/securelink/?url=https://mailman.zfn.uni-bremen.de&key=eyJsYW5nIjoiRlIiLCJ1cmwiOiJodHRwczovL21haWxtYW4uemZuLnVuaS1icmVtZW4uZGUvY2dpLWJpbi9tYWlsbWFuL2xpc3RpbmZvL2RmdGItcGx1cy11c2VyIiwidG9rZW4iOiJnQUFBQUFCbHRDc3RiYjNSeTRDZlg1UUt1dmFWVngyNjVwMEJKSnF1NUh3R1MwLUtJYUxTSTNjZGtHTEJZN2EwN1hPcHNtbkdvdFBUTW5qdENpRVJlSWtvRkkzMzl6STJiYTZwMTBlZDJQQ0JoY1lmaXpFQ2o0aW1tWU1BTGJuWGpDaGhRLVJ5bnhyY1lfVnRjYng5Zkt3M2tKVVJpUFJMbUdPME5GeG5zSlcxV0Rnd2VzWFRfUHpBOTVEckVlcmpnUFlNb0cySVowOHVHU2cxMVc2Y2dfbnpTdHFiMGpMV2lnNVktdnRtYVE5Z3FvVTZVYTFjdHdpTjRJZnFwVVAzZFAyU2R6SUp5NUtKWEZEaU1UVWdDTV9EZ2t2d1ViS3hjNFZWaFZUQWtzcWFSd3E4TWJ2cUt2MklFRDFvdFM5b29YUFJ3TTlTZEtzUyJ9 <https://MailInBlack.univ-lyon1.fr/securelink/?url=https://MailInBlack.univ-lyon1.fr&key=eyJsYW5nIjoiRlIiLCJ1cmwiOiJodHRwczovL01haWxJbkJsYWNrLnVuaXYtbHlvbjEuZnIvc2VjdXJlbGluay8_dXJsPWh0dHBzOi8vbWFpbG1hbi56Zm4udW5pLWJyZW1lbi5kZSZrZXk9ZXlKc1lXNW5Jam9pUmxJaUxDSjFjbXdpT2lKb2RIUndjem92TDIxaGFXeHRZVzR1ZW1adUxuVnVhUzFpY21WdFpXNHVaR1V2WTJkcExXSnBiaTl0WVdsc2JXRnVMMnhwYzNScGJtWnZMMlJtZEdJdGNHeDFjeTExYzJWeUlpd2lkRzlyWlc0aU9pSm5RVUZCUVVGQ2JIUkRjM1JpWWpOU2VUUkRabGcxVVV0MWRtRldWbmd5TmpWd01FSktTbkYxTlVoM1IxTXdMVXRKWVV4VFNUTmpaR3RIVEVKWk4yRXdOMWhQY0hOdGJrZHZkRkJVVFc1cWRFTnBSVkpsU1d0dlJra3pNemw2U1RKaVlUWndNVEJsWkRKUVEwSm9ZMWxtYVhwRlEybzBhVzF0V1UxQlRHSnVXR3BEYUdoUkxWSjVibmh5WTFsZlZuUmpZbmc1Wmt0M00ydEtWVkpwVUZKTWJVZFBNRTVHZUc1elNsY3hWMFJuZDJWeldGUmZVSHBCT1RWRWNrVmxjbXBuVUZsTmIwY3lTVm93T0hWSFUyY3hNVmMyWTJkZmJucFRkSEZpTUdwTVYybG5OVmt0ZG5SdFlWRTVaM0Z2VlRaVllURmpkSGRwVGpSSlpuRndWVkF6WkZBeVUyUjZTVXA1TlV0S1dFWkVhVTFVVldkRFRWOUVaMnQyZDFWaVMzaGpORlpXYUZaVVFXdHpjV0ZTZDNFNFRXSjJjVXQyTWtsRlJERnZkRk01YjI5WVVGSjNUVGxUWkV0elV5SjkiLCJ0b2tlbiI6ImdBQUFBQUJsdUNRNDk0Tk1ETFljV0p0cWdFZzJmSTRWZWJYdEhPSW9ONkxmbHdrTXhQM2IxbTFZeE96MU5FbXRJSEdVVDdoRlJseTdKcDdhOGVMeGowLWw4MGxjRnlBWjNkdkhXTTRhMk02bmIyczV5UWNTYVJkdm4waUg5ekdDX2Q2ZnVMMTI2bTFtMmdpNXNqUzJBekRZcVM0N1lzUWYyd2lZaFd5WmI2ZGREN0ZraW1ocGtYSld4UVFaQzNnMW9lVzBMMWl3dkVhMkdXeXV3T2Z0VXVMNEtKbWxGM1Jwa2VrVnRtUF81MEwxUTV4S013aXAwVEh0eWJuUUxWaU5YajFMdFI5SnRobG9USVFvRVFHMVEtYWY2QkxTMjFEbWJWZWw4Tk8wZXFRYUozamh2NXFLVFR6elhyQWxkVGRCT3hjeUNYYmh6Y2NHIn0=>
>>
>> --
>> Prof. Dr. Thomas Niehaus
>> Institut Lumière Matière
>> UMR5306 CNRS
>> Université Claude Bernard Lyon 1
>> Domaine Scientifique de La Doua
>> 10 rue Ada Byron
>> 69622 Villeurbanne CEDEX, France
>> --
>> Office: Brillouin building, 4th floor, room 006
>> Tel: +33 472 431 571
>> Home page:http://ilm-perso.univ-lyon1.fr/~tniehaus <https://MailInBlack.univ-lyon1.fr/securelink/?url=https://MailInBlack.univ-lyon1.fr&key=eyJsYW5nIjoiRlIiLCJ1cmwiOiJodHRwczovL01haWxJbkJsYWNrLnVuaXYtbHlvbjEuZnIvc2VjdXJlbGluay8_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>
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>
> --
> Prof. Dr. Thomas Niehaus
> Institut Lumière Matière
> UMR5306 CNRS
> Université Claude Bernard Lyon 1
> Domaine Scientifique de La Doua
> 10 rue Ada Byron
> 69622 Villeurbanne CEDEX, France
> --
> Office: Brillouin building, 4th floor, room 006
> Tel: +33 472 431 571
> Home page:http://ilm-perso.univ-lyon1.fr/~tniehaus <https://MailInBlack.univ-lyon1.fr/securelink/?url=http://ilm-perso.univ-lyon1.fr&key=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>
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--
Prof. Dr. Thomas Niehaus
Institut Lumière Matière
UMR5306 CNRS
Université Claude Bernard Lyon 1
Domaine Scientifique de La Doua
10 rue Ada Byron
69622 Villeurbanne CEDEX, France
--
Office: Brillouin building, 4th floor, room 006
Tel: +33 472 431 571
Home page: http://ilm-perso.univ-lyon1.fr/~tniehaus
Lab: http://ilm.univ-lyon1.fr
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