[Wien] Magnetism of dilute alloys

2010-05-19 Thread Bin Shao
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[Wien] Magnetism of dilute alloys

2010-05-19 Thread Stefaan Cottenier
When the RMT is set to be smaller and keep the value of RMT*KMAX the same, there will be more plane waves in Wien. On the other hand, VASP is package using a plan wave basis, so I think the results of the two package will be almost the same when the RMT set to be smaller. Good attempt,

[Wien] missing case.scf file

2010-05-19 Thread Josh Abeling
University of Newfoundland -- next part -- A non-text attachment was scrubbed... Name: Cd2Re2O7.struct.sxw Type: application/vnd.sun.xml.writer Size: 6706 bytes Desc: not available URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100519/737df890/attachment.sxw