Dear wien2k users, in the user guide of wien2k page no 21 it is written thatInspection of TiC.scf1 and TiC.scf2 should allow you to select an EMIN value to eliminate the Ti 3s and 3p semicore statesI think some more?information is required to make me understand this procedure. Somebody please help. Thanks in advance.
Yours sincerely Jameson Maibam -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120911/7146c9b4/attachment.htm>
