[Wien] Fwd: AW: Senior Scientist Stelle

2016-07-06 Thread Peter Blaha
Dear wien2k users, Please find below an announcement for a position of a Senior Scientist at the TU Wien, Austria, in the group of the new Professor Georg Madsen: --- 231.4.2 Eine Stelle für einen Senior Scientist am Institut für

Re: [Wien] Error in wien2wannier for spin orbit coupling case

2016-07-06 Thread Elias Assmann
On 07/05/2016 07:18 PM, Niraj Aryal wrote: > However, there is something serious thing I am encountering. When I do > wannier90 calculation after finding case.mmn, case.amn and case.eig (up > and down spins are added using w2waddsp), it gives me negative spread > for Omega I e.g: > > Spre

Re: [Wien] Question regarding spin scaling (xc1) implementation in wien2k

2016-07-06 Thread Peter Blaha
No, the total energy has not been implemented. Only the potential. Am 07.07.2016 um 02:37 schrieb Wen Fong Goh: Dear wien2k developers, I would like to know does the wien2k calculation with spin scaling (xc1) give a consistent total energy value? I looked up the subroutines in SRC_lapw0, parti