[ERROR]Error reading NonLinear database

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AmberLee123
Posts: 35
Joined: Sun Jul 26, 2020 7:00 am
Location: Xiamen, Fujian, China

[ERROR]Error reading NonLinear database

Post by AmberLee123 » Sat Aug 01, 2020 1:34 pm

Dear Yamboers,

I am trying to complete the TD-BSE nonlinear optical calculation here http://www.yambo-code.org/wiki/index.ph ... ote-dfpt-2 .

Intuitively, I test the example in http://www.yambo-code.org/wiki/index.ph ... ion_(TDSE) , while changing the input of

ypp_nl -F Inputs_nl/ypp_abs.in -J TD-SEX_nl -C TD-SEX_nl

from

nonlinear # [R] NonLinear Optics Post-Processing
Xorder= 1 # Max order of the response/exc functions
% TimeRange
-1.000000 |-1.000000 | fs # Time-window where processing is done
%
ETStpsRt= 1001 # Total Energy steps
% EnRngeRt
0.00000 | 10.00000 | eV # Energy range
%
DampMode= "LORENTZIAN" # Damping type ( NONE | LORENTZIAN | GAUSSIAN )
DampFactor= 0.10000 eV # Damping parameter


to Xorder= 4

The r-TD-SEX_2thnl_nonlinear file reports

[ERROR]Error reading NonLinear database

As in GW_BSE_NL.tar.gz

All files are uploaded to

Link: https://share.weiyun.com/G7uzpB6r PW:sxla9l

Thanks a lot ~
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Sincerely,
Dr. Guoyu Yang
Lecturer
Jimei Univ, School of Science, Digital Fujian Big Data Modeling and Intelligent Computing Institute
185 Yinjiang Rd.,
Jimei District, Xiamen,361021
Fujian, China
E-mail: 201961000100@jmu.edu.cn

User avatar
claudio
Posts: 458
Joined: Tue Mar 31, 2009 11:33 pm
Location: Marseille
Contact:

Re: [ERROR]Error reading NonLinear database

Post by claudio » Sat Aug 22, 2020 11:41 am

Dear Guoyu Yang

I will try yo repeat your calculation,

in the while try to run them without the -J and -C options, directly in the SAVE folder
and see if it works

best
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

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