[Wien] warning show during scf cycle. (WARNING: VX .gt. +1.0)
AJAY SINGH VERMA
ajay_phy at hotmail.com
Tue Nov 14 18:12:38 CET 2017
Dear Sir
When i run scf cycle during lapw 0 calculation an error WARNING: VX .gt. +1.0 is occur. This error is present in every cycle form lapw0 to mixer. Kindly help me how can i remove this error. Is this error effect my crystal properties?
With regards
Ajay Singh Verma
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20171114/3d14004c/attachment.html>
More information about the Wien
mailing list