[Wien] hf error -monolayer

Brik Hamida hmd.brik at gmail.com
Wed Jun 21 13:47:12 CEST 2023


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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