[Wien] plz help required

arqum hashmi arqumhashmi at yahoo.com
Mon Jul 2 09:50:59 CEST 2012


Dear wien 2k users

i am calculating Fe2O3-104 surface calculation with 40 atoms in a unit cell. one time scf cycle completed successfully but when i run Scf cycle 2nd time to improve convergence it gives this error.

EFG - Error
cat: No match. >   stop error

when i checked the error file, in Fe2O3O-104/lapw0.error file show this message.
**  Error in Parallel lapw0
**  lapw0 STOPPED at Wed Feb 23 01:25:23 KST 2011
**  check ERROR FILES!

i don't know why this error occurred. Please help me to solve this problem.....
i will be very thankful to you.


Thanks and Regards
Arqum Hashmi
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120702/16cc5826/attachment.htm>


More information about the Wien mailing list