[Wien] problem when including spin-orbit

It's done!Thanks very much for your help! WangJing wangjingjing at ciac.jl.cn ??2009-12-12

[Wien] problem when including spin-orbit

I checked with your struct file. The problems occur in symmetso because of your monoclinic angle beta. As temporary fix, just edit case.struct and put beta to 89.9 degree; run initso; and afterwards change it back to the desired angle. Peter Blaha ?? schrieb: Dear Prof. Blaha and Wien Users,

[Wien] problem when including spin-orbit

Dear Prof. Blaha and Wien Users, I am doing a spin-polarised calculation including spin-orbit. The GGA calculation I run first goes through without any problems, the results were saved then, when I try to execute ?initso_lapw? and was asked ?Do you have a spinpolarized case (and want to run