[Wien] Fwd: Confusion regarding band structure calculation with hf

[shamik chakrabarti]

Dear Wien2k users,

                   I may have solve the problem by creating klist_band
using  Xcrysden. It is running now.
---------- Forwarded message ---------
From: shamik chakrabarti <shamik15041981 at gmail.com>
Date: Fri, 17 Feb 2023 at 14:01
Subject: Confusion regarding band structure calculation with hf
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>


Dear Wien2k users,

                I have a converged solution of a FCC cubic material (with
P1 space group to have all the 56 vatoms inequivalent) as obtained using
hf. During band structure calculation I have copied case.klist_band for
this material & run
" run_bandplothf_lapw -up -redklist"
After the completion of lapw1 -up it shows a message

 STOP  LAPW1 END
9317.685u 647.921s 44:16.16 375.1% 0+0k 96+2981624io 15pf+0w
STOP OPEN FAILED
0.008u 0.008s 0:00.11 0.0% 0+0k 2704+8io 14pf+0w

Am I doing something wrong?

Looking forward to listen from you.

with regards,
-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India


-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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