[QE-users] el-ph calculation with SOC Ver. 7.0, 7.1
Juan Hernández-Tecorralco
juanht at ifuap.buap.mx
Wed Feb 8 19:40:01 CET 2023
Dear QE users,
I am not sure if this has been discussed before. When I try to perform
an electron-phonon calculation in Quantum Espresso 7.0 or 7.1, I get the
following warning if the spin-orbit coupling is included in my systems.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine phq_readin (1):
el-ph coefficient calculation disabled in noncolinear/spinorbit
case
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Is there a way to enable the el-ph calculation with SOC?
Any help would be appreciated,
Greetings.
--
Juan H.-Tecorralco
Instituto de Física
UNAM, México
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