> For the cases of non-spinpolarized spin-orbit coupling, I can also take the
> following procedure to do the calculations ---
>
> First change TOT to FERMI and also use TETRA with a value of 101.0 in
> case.in2c
>
>>(run_lapw) options: -so -s lapw1 -e lcore -p
> Thu Oct 14 21:44:00 MDT 201
Dear Peter,
Thanks for the clarification.
I put in some further comments below.
On Oct 17, 2010, at 11:55 PM, Peter Blaha wrote:
>
>> For the cases of non-spinpolarized spin-orbit coupling, I can also take the
>> following procedure to do the calculations ---
>>
>> First change TOT to FER
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