Dear Shi,
You should run_lapw -so -s lapw1 -e lcore
Guoping
On Sun, 27 Apr 2008, Peter Blaha wrote:
> > 5. run_lapw -so -e lapw1 -s lcore
>
> Does not look right ! You start at lcore and end with lapw ??
>
> > In my calculation(no spin) of optic property i encountered a problem
> > as foll
> 5. run_lapw -so -e lapw1 -s lcore
Does not look right ! You start at lcore and end with lapw ??
> In my calculation(no spin) of optic property i encountered a problem
> as follow:
> i can successfully do optic calculation without spin-orbital coupling,
> but when i take into account spin-o
Dear wien users:
In my calculation(no spin) of optic property i encountered a problem as
follow:
i can successfully do optic calculation without spin-orbital coupling,
but when i take into account spin-orbital coupling the case.symmat file is full
of NAN(Not a Number) symbol. Who can tell me
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