[Thermo_pw-forum] ppcg diagonalization

Mahmoud Payami Shabestari mpayami at aeoi.org.ir
Mon Dec 19 13:46:34 CET 2022


Dear Prof. Dal Corso,



Hi.

I found out that "thermo_pw-1.7.1 + QE-7.1" has problems with "ppcg" 
diagonalization.

At the end of scf, all eigenvalues at different k-points are set identically 
to zero.

Is there any cure?



Best regards,



Mahmoud Payami

NSTRI, AEOI, Tehran, Iran

Email: mpayami at aeoi.org.ir

Phone: +98 (0)21 82066504
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