[Thermo_pw-forum] problem with "startingpot='file' "

Mahmoud Payami Shabestari mpayami at aeoi.org.ir
Wed Dec 14 10:50:19 CET 2022


Dear Prof. Andrea Dal Corso,



Hi.

Recently I have started to use the elegant features of your thermo_pw code, 
and found it very fruitful. I appreciate your and your colleagues' efforts 
for developing such a fantastic code.

By the way, using thermo_pw 1.7.1 joined with QE-7.1, I noticed that the 
switch "startingpot='file' " is ignored vy the code and it uses 
superposition of atomic orbitals to construct the starting potential.

I would be grateful if you could please show me a workaround.



Best regards,



Mahmoud Payami
NSTRI, AEOI, Tehran, Iran

Email: mpayami at aeoi.org.ir

Phone: +98 (0)21 82066504

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