[Wien] Forces with spin-orbit interaction
John Appleton
banger_deep at yahoo.com
Thu Sep 7 15:15:33 CEST 2006
Dear WIEN users,
After thorougly reading the mailing list, I get the understanding
that mini cannot be used with spin-orbit. But what about
force convergence with spin-orbit. For example
runsp_lapw -so -i 40 -ec 0.00001 -cc 0.0001 -fc 1
I know -ec and -cc can be used with -so but I'm not
sure about -fc.
Thanks
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20060907/85438c5e/attachment.html
More information about the Wien
mailing list