Re: [Wien] Problem for the bandstructure with PBE+SOC

It sounds as if you prefer to use "init_so" in the terminal, but then like to do the bandstucture calculation in w2web. As Gerhard hinted at by his question "Did you start the scf cycle from "run SCF" and marked the box with spinorbit ?". In w2web, you could click "run SCF" in the left

Re: [Wien] Problem for the bandstructure with PBE+SOC

Gerhard, Yes, I mean the w2web interface or server. Thank for your comment, I had not used the "initso" with the w2web server, I had done it in the terminal using; "init_so" Now I did it in the server and I found that when I do the bandstructure the "x lapwso" is there If I use the "init_so" then