Dear Gary,
start with lapw1 (don't forget -qtl) and then lapwso.
Kind regards,
Karel
On Fri, 17 May 2024, Gary Amini wrote:
Dear all,
When calculating DOS with SOC, is it correct to do
x lapw2 -so -up -qtl
x lapw2 -so -dn -qtl
x tetra -up -so
x tetra -dn -so
or should we run lapwso al
Dear all,
When calculating DOS with SOC, is it correct to do
x lapw2 -so -up -qtl
x lapw2 -so -dn -qtl
x tetra -up -so
x tetra -dn -so
or should we run lapwso also?
Best,
Gary
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