[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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