Dear Wien2k users,
It is still showing the similar results as given below;
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
Looking forward to your advice.
with regards,
On Fri,
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"
Aft
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