Re: [Wien] runsp_c_lapw and spin-orbit

2013-05-11 Thread Peter Blaha
No, you don't need to consider symmetso as long as you use runsp_c_lapw Am 10.05.2013 08:42, schrieb 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

[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