[Wien] Electron density plots

Jameson Maibam j.maibam_official at yahoo.com
Tue Sep 11 06:57:57 CEST 2012


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>


More information about the Wien mailing list