[Wien] runsp_c_lapw and spin-orbit

2013-05-10 Thread Francisco Garcia
Dear users, Suppose that I use runsp_c_lapw to constraint the spin magnetic moments to zero (eg. non-magnetic eece calculation). If I add spin-orbit interaction by running initso_lapw, must I treat it as non-spin-polarized (in that case I will not run symmetso) or treat it as spin-polarized (in

Re: [Wien] why no case.vector prouduced by run_lapw or x lapw1?

2013-05-10 Thread Bing Zhou
Dear Oliver Albertini, I found the case.vector at the scratch directory as you suggested, many thanks! Best wishes, Bing   From: Oliver Albertini o...@georgetown.edu To: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at Sent: Wednesday, May 8, 2013 3:50:14 AM Subject: Re: [Wien]