[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
--------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/thermo_pw-forum/attachments/20221214/6d967911/attachment.html>
More information about the Thermo_pw-forum
mailing list