[Wien] hf error -monolayer

[Peter Blaha]

Is your case.inhf correct ?

What is the content of   hf.error  ??


Am 21.06.2023 um 13:47 schrieb Brik Hamida:
> 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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-- 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email:peter.blaha at tuwien.ac.at           
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