Not enough information is provided. In particular, were the various
files case.klist* and case.kgen* properly generated with the command
"run_kgenhf_lapw -redklist"?
On 21.06.2023 13:47, Brik Hamida wrote:
Dear
I have done hf-SFC calculation for BULK semiconductor and it is well
done.
Then , I followed the same hf -calculation steps for MONOLAYER
semiconductor but unfortunately I have an error in hf ( hf error
file) :
start (21 جوان, 2023 CET 12:28:26 م) with lapw0
(40/99 to go)
cycle 1 (21 جوان, 2023 CET 12:28:26 م)
(40/99 to go)
lapw0 -grr (12:28:26) 6.3u 0.0s 0:06.38 99.8% 0+0k 0+10000io
0pf+0w
lapw0 (12:28:32) 4.5u 0.0s 0:04.61 100.0% 0+0k 0+2704io
0pf+0w
lapw1 (12:28:37) 41.2u 0.5s 0:41.74 100.0% 0+0k 0+72976io
0pf+0w
lapw2 (12:29:19) 1.1u 0.0s 0:01.16 100.0% 0+0k 0+3864io
0pf+0w
lcore (12:29:20) 0.0u 0.0s 0:00.05 100.0% 0+0k 0+2984io 0pf+0w
hf -mode1 -redklist (12:29:20) 0.0u 0.0s 0:00.09 88.8%
0+0k 0+24io 0pf+0w
error: command /home/hmd/wien18/hf hf.def failed
stop error
Please can someone tell me how I can solve this problem? Thanks in
advance .
Best regards
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