Hi all, I have tried to use my custom klist. I have copied my klist into the directory, set TEMP as a Fermi-method with eval = 0.002, then I just skipped the kgen command during the initialize calc. <http://coral33.esrf.fr:7891/exec/initlapw.pl?SID=195473>At the lapw1 I got the error "'LOPW' - Plane waves exhausted."
I guess something is wrong in the way I feed the klist? Thank you. -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110221/91c58f9c/attachment.htm>