[Wien] Simulation of DOS for a calculation with -hf

shamik chakrabarti shamik15041981 at gmail.com
Fri Nov 26 16:14:12 CET 2021


Dear Wien2k users,

                        I have a converged SCF with full hybridization
obtained using the command "runsp_lapw -hf -redklist -ec 0.0001 -cc 0.0001"

Now I want to simulate DOS. My query is whether the following steps are
correct:

(1) x lapw2 -qtl -hf -up/dn
(2) x tetra -hf -up/dn

Looking forward to hearing from you

with regards,

-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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