I started a new calculation with "minimum parameters" using init_lapw -prec 0, which suggested the following parameters:
RMT*Kmax=5 64 k-points (6 IBZ) I did parallel calcualtion using: 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost granularity:1 extrafine:1 omp_global:8 omp_lapw1:1omp_lapw2:1 In few hours I got 6 full SCF cycles with average of ~38 minutes per cycle Victor
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