[Thermo_pw-forum] Error in calculation

[benamrani, ammar]

Hello All Thermo-pw users and experts,

I tried to study the effect of temperature on elastic constants of GaSb
binary semiconductor using thermo_pw code.
I used Quasi harmonic approximation (QHA) which is time consuming compared
to Quasi static approximation. The calculation is two steps calculation and
the error occurred in the second step as follows :
from find_quartic_extremum : error # 1
extremum not found
Any suggestion to solve the issue !
I don't know how to solve this problem.
Any suggestion is appréciated.
Dr. Benamrani Ammar
Faculty of Sciences and Technology
University of Bordj Bou Arréridj
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