Dear Dr. Tran,
I have tried with the command " run_kgenhf_lapw
-newklist" in terminal...however, it says that the option .-newklist does
not exist.
Hence, I have done the followings
(1) Init_hf_lapw
(2) Did not change anything in case.inhf
(3) I have put nx=2, ny=2, nz=1 & for the reduced klist, again nx=2, ny=2,
nz=1
(4) Eventually run " run(sp) lapw -hf -redklist -i 1
Is it correct?
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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