[Wien] a strange question about GGA+U

[Stefaan Cottenier]

>     I have tested it, the results depend on case.clmup/dn, case.dmatup/dn, case.vorbup/dn files.
>  
>
That was to be expected, as the vorb files (orbital potential) are 
calculated by the orb program with (mainly) the dmat files (density 
matrix) as input, while the latter are determined by the eigenvalues and 
eigenvectors of the current iteration (case.vector* files) by the lapwdm 
program. They are all interconnected.

Stefaan


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