[Wien] Error in LAPW2

Peeyush Kumar Kamlesh peeyush.physik.rku at gmail.com
Sat Mar 27 06:06:30 CET 2021


Dear Sir/Ma'am,
Greetings!
After running 139 complete scf cycles of PBE+mBJ (Jishi et al., JPCA 118,
28344 (2014)), in 140th cycle it is showing following error:

sed: can't read s/\/$//: No such file or directory
LAPW2 - Error. Check file lapw2.error
cp: cannot stat '.in.tmp': No such file or directory

However force and charge have already been converged. Energy is not yet.
Please tell me the solution.

Regards
Peeyush Kumar Kamlesh
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20210327/4a92d172/attachment.htm>


More information about the Wien mailing list