[Wien] WIEN2k 23.2

delamora delamora at unam.mx
Mon Jul 17 20:42:51 CEST 2023


In this version there are changes, where I can find about them?
For example, in
Gd_1.25 Sr_0.75 Ni O_4
after "init" I got

R-MT*K-MAX=5.96

GdSrNiO4-3.klist;
        1       2       2       7      28  8.0 -7.0  1.5       147 k, div: (  7  7  2)
         2         2         6         7        28  8.0
****
        16        14        14         7        28  2.0
END
----
is 5.96 and 147 a good quality calculation?
Before I thought it was 7 and 1000

Saludos

Pablo
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