[Wien] case.in1c missing for a centrosymmetric case doing U+SO

Luc Fruchter luc.fruchter at u-psud.fr
Thu Apr 23 16:24:46 CEST 2020


>When SO is activated, this is lapwso (and not lapw1) which adds the U-potential 
>to the Hamiltonian matrix (have a look at the file :log).

Thanks for rectifying (you probably mean 'adds SO'). I should have written for the actual scheme
"lapw1 -up -band -orb -so" which may be, from U.G. program flow in p.44, has lapw1 call lapwso by itself ?
Still, I do not understand this requirement for case.in1c file from lapw1 ?

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