[Wien] Qestion about DOS results
shaymlal dayananda
kcsdayananda at yahoo.com
Sun Dec 9 13:36:09 CET 2018
Dear developers and users
I calculated the DOS for my system including spin polarization, hubbard U and SOC. I expected to have a difference between the spin-UP-DOS and spin-DN-DOS ( in literature they have a difference). But as in the attached picture I am getting both are almost the same. Can you please let me know whether I can accept this or not? My system is in FM conditions and have 7 atoms with two types. Type 1 is magnetic, I defined type1-atom1 > spin UP and type1-atom2> spin DN , during the initialization.
Also next I ran "runsp_lapw -p -so -orb -dm -i 140 -ec 0.00001 -cc 0.0001" and completed without any error.
Then for DOS, I followed the steps below and no errors it completed.
x lapw1 -up -orb -p
x lapw1 -dn -orb -p
x lapwso -up -p -orb
x lapw2 -qtl -so -up -p
#Edited int filex tetra -up -sox lapw1 -dn -orb -p
x lapw1 -up -orb -p
x lapw2 -qtl -so -dn -p
#edit int
x tetra -dn -so
Thank you very much
Shayam
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