[Wien] Increment of K-points for having smooth DOS in HSE06 calculations

[shamik chakrabarti]

Dear Wien2k users,

                    I have simulated the total energy of a system with
HSE06 & I get a reasonable value. However, I have used 8 K points for
simulating the energy but the DOS with 8 k points seems to be jerky. Now I
want to run the previous HSE06 with more k-points. Please suggest me
whether the following sequence is proper;
(1) cp case.HSE06.* /home/Shamik/case.HSE06_64k
(2) cd /home/Shamik/case.HSE06_64k
(3) restore_lapw  case.HSE06
(4) run_kzenhf_lapw
(5) 4x4x4 k-mesh with 2x2x2 reduced mess
(6) run_lapw -hf ..-redklist

Looking forward to your advice.

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/20221223/23933090/attachment.htm>