[Wien] spin-orbital coupling initialization

malibird at sohu.com malibird at sohu.com
Thu Oct 21 03:16:06 CEST 2010


Hello All,I'm calculating UO2 doping in the interstitial site with Ne atom with SO coupling by Wien2k_08. When I run initso_lapw, it can't pass in a right way. The step x symmetso is wrong. Could you tell me how to solve it? Thank you.Best,Li 
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