Re: [Wien] DOS with Spin-orbit coupling

Thank you Prof. Blaha for your prompt response. I actually meant x lapwso (and inadvertently typed palwso ). with sincere regards Susanta On Wed, Feb 7, 2024 at 9:42 PM Peter Blaha wrote: > Hi, > > I guess you mean lapwso when you typedpalwso. > > > when you runx lapwso -hyou ca

Re: [Wien] DOS with Spin-orbit coupling

Hi, I guess you mean   lapwso   when you typed    palwso. when you run    x lapwso -h    you can see all possible allowed switches. -dn is not allowed. In a magnetic case  lapwso couples (mixes) spin-up and dn, so both spins are always considered. A "better" switch would be   -sp, just ind

[Wien] DOS with Spin-orbit coupling

Dear Prof Blaha and wien2k users. I am facing a problem while plotting dos with so. For up spin, all the commands are running but for dn spin x palwso -dn I am getting an error like ERROR IN OPENING UNIT: 18 FILENAME: CeMg_3.