Dear Wien2k users,
I have simulated a converged solution with 24 K
points. But I want to compare energies of another iso structure with 33
K-points. Hence, my query is; should I need to run the earlier calculation
with 33 K points from scratch or I can just increase the K points and
consequently init_lapw starting from x keyzen before running the SCF with
-NI.
Looking forward to your reply.
with regards,
--
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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