[Wien] DOS with spin-orbit and orb

susanta mohanta susanta.phy at gmail.com
Fri Jul 25 10:14:21 CEST 2025


Dear Prof Blaha and Wien2k users;
                                        In older version of wien2k we were
able to run
*x lapwso -up -orb*
*x lapwso -dn -orb*

but in version 23.1 and 24 the -dn option is not working. What I observe is
that the down dos appear exactly the same as LDA/GGA; however the up dos
shifts towards lower energies (as expected). As my understanding is
concerned; the up dos usually shifts towards higher energies (in certain)
with hubbard U. Am I correct? Since the *x lapwso -dn -orb* option is not
available in the latest wien2k, how do I check? or Conceptually I am doing
wrong? Any suggestion would be appreciated.

with best regards
-- 
*Dr. Susanta Kumar Mohanta*
Assistant Professor in Physics
Dept. of Basic Sciences
Government College of Engineering Kalahandi,
Bhwanipatna-766002, Odish
7328025509, 8249969717
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