[Wien] Continuing confusion in dos...

[shamik chakrabarti]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20211128/3baa9b9b/attachment.htm>