Re: [QE-users] el-ph calculation with SOC Ver. 7.0, 7.1

2023-02-10 Thread Paolo Giannozzi
Now I know: it is a problem that occurs in magnetic systems with spin-orbbit interactions only: q and -q are no longer equivalent. This requires some non-trivial changes to the code, that will hopefully percolate to some future release Paolo On 08/02/2023 19:40, Juan Hernández-Tecorralco via

Re: [QE-users] el-ph calculation with SOC Ver. 7.0, 7.1

2023-02-08 Thread Paolo Giannozzi
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 calculat

[QE-users] el-ph calculation with SOC Ver. 7.0, 7.1

2023-02-08 Thread Juan Hernández-Tecorralco via users
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. %%%