| 6:44:21 PM PST - Thu, Feb 9th 2012 |
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Jim,
http://nwchemgit.github.io/index.php/Release61:Plane-Wave_Density_Functional_Theory has a broad suite of tutorials with examples available, starting at http://nwchemgit.github.io/index.php/Release61:Plane-Wave_Density_Functional_Theory#NWPW_Tut... .
Bert
Quote:JimW Feb 9th 3:05 pmRight, very long chains is not really an option for me, so I guess I will try to use plane-waves. Are there any examples availeble on how to build a simple input file for pspw?
Cheers,
Jim W |