On 08/02/2023 19:40, Juan Hernández-Tecorralco via users wrote:
I am not sure if this has been discussed before
not here, but it is a known problem. Unfortunately it is unknown who told me to disable that specific case (which I did) and why.
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.
it's not a warning, the code stops
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 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?
there are several ways to compute the electron-phonon coefficients. EPW does not suffer from the unknown problem (or more exactly, the known problem of unknown origin) above
Paolo
Any help would be appreciated, Greetings.
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