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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