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
_______________________________________________
Wien mailing list
[email protected]
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST
at:http://www.mail-archive.com/[email protected]/index.html
--
-----------------------------------------------------------------------
Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email:[email protected]
WWW:http://www.imc.tuwien.ac.at WIEN2k:http://www.wien2k.at
-------------------------------------------------------------------------
_______________________________________________
Wien mailing list
[email protected]
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/[email protected]/index.html
