Dear Wien2k users
I am PhD student
I work on wien2k
I want to calculate the DOS of my material
First, i do an SCF calculation on a small mesh of k-pointsThen, i do an SCF+SO
(Spin-Orbit) calculation on the same mesh
For, the DOS, i generate a big k-point meshthen i run:x lapw1 -px lapwso -px
lapw2 -qtl -so -p
But, the calculation for 'x lapw2 -qtl -so -p' is so long,
My question is if my calculation for the DOS+SO is true, or i must directly
call the 'x lapw2 -qtl -so -p' after the 'x lapw1 -p' , without calling the 'x
lapwso -p' ?
Thanks for your help
With my best regards
Ali ALLAMAix Marseille universityPhD - Physics of materialsMarseille 13013 -
FRANCE
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