Re: [QE-users] Noncollinear calculation from collinear wfc

2020-09-23 Thread pdelugas
Hi collinear and non collinear wave functions are different, so it's not possible use collinear wfc to start a non collinear one. You can though use the collinear density. You should use restart='from_scratch' and  startingpot='file'. The starting non collinear magnetisation in this case  will be o

[QE-users] Noncollinear calculation from collinear wfc

2020-09-23 Thread Ignacio Alliati
Hi All, I’d like to know if a noncollinear calculation can be started from a collinear wfc. I always get “Error in routine read_wfc (29): cannot open restart file run/run.save/wfc1 for reading”. I tried a few things like 1. nosym=.true. and noinv=.true. in the collinear calculation, to make