[QE-users] Regarding Elastic Property Calculation using "thermo_pw" with ibrave=0

[Rameswar Bhattacharjee]

Dear All Thermo_PW Users,
I am not sure if this is the correct forum to ask this question as it is
not exactly a QE question. However, I hope many users use this thermo_pw
driver to compute various properties.  need to calculate the elastic
constants of a few 1D organic polymers. I am using Quantum Espresso 7.1 and
compiled the thermo_pw with it. But I am not able to perform calculations
with ibrav =0 as it prints an error message below

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     Error in routine initialize_elastic_cons (1):

     Laue class not available

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


     stopping ...


Could anyone please suggest me a way to compute elastic constants using
thermo_pw

The thermo_pw input is given below

---------------------

 &INPUT_THERMO

  what='scf_elastic_constants',

  elastic_algorithm = 'energy_std',

  continue_zero_ibrav = .TRUE.

/

---------------


Thank you and will appreciate any suggestions.

-- 
Rameswar Bhattacharjee
Postdoctoral Scholar
Department of Chemistry
Georgetown University
Washington, DC 20057
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