[Wien] hf error -monolayer

[fabien.tran at vasp.at]

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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