Generation of the file polarization in Real time approach to linear response

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Moatassim
Posts: 2
Joined: Thu May 21, 2020 10:43 pm

Generation of the file polarization in Real time approach to linear response

Post by Moatassim » Fri May 22, 2020 12:47 pm

Dear all,

I do a simulation in real time. I followed the tutorial based on the Berry Phase (http://www.yambo-code.org/wiki/index.ph ... seApproach) after running the command yambo_nl -u I got this input

nloptics # [R NL] Non-linear optics
% NLBands
1 | 30 | # [NL] Bands
%
NLverbosity= "low" # [NL] Verbosity level (low | high)
NLtime=-1.000000 fs # [NL] Simulation Time
NLCorrelation= "IPA" # [NL] Correlation ("IPA/HARTREE/TDDFT/LRC/LRW/JGM/SEX")
NLLrcAlpha= 0.000000 # [NL] Long Range Correction
% NLEnRange
0.200000 | 8.000000 | eV # [NL] Energy range
%
NLEnSteps= 80 # [NL] Energy steps
NLDamping= 0.200000 eV # [NL] Damping
NLGvecs= 17797 RL # [NL] Number of G vectors in NL dynamics for Hartree/TDDFT
% ExtF_Dir
1.000000 | 0.000000 | 0.000000 | # [NL ExtF] Versor
%

1=> The input dont mention the type of the extF should I add it manually ?

2 => After runnig the command yambo_nl the calcul finish and the code generate just the r_nloptics file. The file polarization is not generated

Thank you
Best regard
----------------------------------------
Hajar Moatassim
Mohammed V University,
Faculty of Sciences, Rabat, Morocco
Last edited by Moatassim on Fri May 22, 2020 4:02 pm, edited 1 time in total.

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claudio
Posts: 248
Joined: Tue Mar 31, 2009 11:33 pm
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Re: Generation of the file polarization in Real time approach to linear response

Post by claudio » Fri May 22, 2020 1:00 pm

Dear Moatassim

first of all please add your affiliation to the post.

Regarding the type of external field, by default is a sinusoidal,
but you can change it by adding the verbosity in the input

Code: Select all

yambo_nl -u -V nl
in order to generate the polarization file, just change the output verbosity

Code: Select all

 NLverbosity= "high" 
best regards
Claudio
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com
Freely download scientific books from: http://www.freescience.info

Moatassim
Posts: 2
Joined: Thu May 21, 2020 10:43 pm

Re: Generation of the file polarization in Real time approach to linear response

Post by Moatassim » Fri May 22, 2020 4:06 pm

Thank you very much

----------------------------------------
Hajar Moatassim
Mohammed V University,
Faculty of Sciences, Rabat, Morocco

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