[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_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>
>>>
>>>
>>>
>>>
>>>         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_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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=eyJsYW5nIjoiRlIiLCJ1cmwiOiJodHRwczovL21haWxtYW4uemZuLnVuaS1icmVtZW4uZGUvY2dpLWJpbi9tYWlsbWFuL2xpc3RpbmZvL2RmdGItcGx1cy11c2VyIiwidG9rZW4iOiJnQUFBQUFCbHN2VW9SM3BXdkIzbW5QdEhxY3pmNHlDMVB6bnkyeWU0eEZ5S29RaEJueGliS0MzMldLeEs4eTFuWjdzSU10elo0Z2dlNHZhcXRtb3pMWnJfdUhGSUxFeEU1SFc0YXhrUlF5WEFJcWtKbWRxNlI5YmY2U3RBSll1czZmdFl3VktFZ19aMXdCWHZoOVlTcnFaX3FwemYzc20tNnZzd0llQXRDMDdqMWt1SFdzRFdaZ0VlYk16VTQ0V1E4U2RlX1IxNFpnc29WU0JZMEZSd3QxeVFJbnpEb1hPbV9mV1VVRF9Ydk95ZmFHOEdIUHhxV0VlSkE5b1hGNE56Z0Qybm1WTDA0VlBocFlhTC1PWVYzWUhwblhmcUp3aWxBM1p0d0lTYmpzd3lHQi1oOWhUOEszS2QzSVNka3FJSTdhbi0xQ1NreDVkVSJ9  <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_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>
>>>             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
>>>             <mailto:DFTB-Plus-User at mailman.zfn.uni-bremen.de>
>>>             https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
>>>             <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=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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_dXJsPWh0dHA6Ly9pbG0tcGVyc28udW5pdi1seW9uMS5mciZrZXk9ZXlKc1lXNW5Jam9pUmxJaUxDSjFjbXdpT2lKb2RIUndPaTh2YVd4dExYQmxjbk52TG5WdWFYWXRiSGx2YmpFdVpuSXZmblJ1YVdWb1lYVnpJaXdpZEc5clpXNGlPaUpuUVVGQlFVRkNiSFZEVVRRMk1VSTRXbWN5ZEZSM2NEZEZUV2ROYlROMVRXcFZWR0ZRWTJkSFNUVlllbGQ1VTFCemNqVkZaMGxCUW5obWFVbFVNblptYlV0UlUySjJZbGR4VUhOeFFqUk1XbWRRV0VkQlIySXpibXB5WTNGV01FeFRRa1IwUjB0WmVUWlFVV2h2Y2poRFZIVk9kVEJYYjNWeGIwNW1hVFJyZVZsQlowbHpZMEozWW5kMFRtOUJlVGxLWW5SRlZFTk5kVEZYZDJsRE4yOTVlbmRJUVVVeVRDMTJXRGRCYnpKNFEwOW5hV1UxZHpGVlpWbElOR2hLY25wc05ESjZPVVJXWkVzeWMyZGFVVE4yYW01VmREaGliekZHYUZoSGNHMU5hRzlxT0V4Q2NGa3RkVVJLUWtwTlJIcHRTQzFyTkVWVVNGUkpTbWhDV2xONk9UTjNPVzVZZFRFd1FqaFNia3MyYkRaU05IUXhRek56Ym1OdlNtdFJWV2hPYlZkR1pYUlVjalEzZGxWT1ZrZ3pYME55WW5OdGFuaDNZa1pxWTFScGNGOW1PVlZzVXpKSGJWQkpaeUo5IiwidG9rZW4iOiJnQUFBQUFCbHd6bHJZN0ZERnk2RERrNlhXVVo2UGFqX2JDRlRQNWFQME1PMFpzRXdydklRQmt2OUFLSlVDNW1VZ2prRzU5R05vbFJLTF9oYmNPSkF3eHBGR2l0a2FjMi1mMk1rOVFXOTNoQlV6R1RpSDc2dGxQa29qRV9IUlNRNmxvcXU5V0wyTzJFWnNlODZMZXhCeXFydy15blFWTzB1OUN2eEt2VjIzT3hJV2lWcW92SUU5b01aY0ZQa29TRGhETEhBQUNOTTNpSTgzNWh1VngxNkhid214R3VlMUY3cHNiQkZnbUpUMjhHeFJabjFXZUJSUHJhWUxLRzB1a2cyaGtidkxtSnhkV3lXUjZKT0QtMWpRZ2J0TVhZY3hDNVZXTHFseGRjbXFXRXdDOWMxOGl2bGFmZmdaN2N0bV9yaGNlSlZncVVmWTdLTSJ9>
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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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>
>     Lab:http://ilm.univ-lyon1.fr  <https://MailInBlack.univ-lyon1.fr/securelink/?url=http://ilm.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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