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quadrupole moments
Started by a.karl |
1 Replies
5278 Views |
March 04, 2008, 10:32:28 amby christof.haettig |
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Mulliken spin densities
Started by acapobia |
2 Replies
3534 Views |
February 11, 2014, 10:32:32 am by acapobia |
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4 Replies
7194 Views |
February 12, 2009, 12:11:43 am by acapobia |
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1 Replies
3088 Views |
October 24, 2012, 07:43:55 pm by acapobia |
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egrad does not write ed.plt
Started by antti_karttunen |
2 Replies
4487 Views |
June 26, 2008, 11:23:30 am by antti_karttunen |
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Cube format and ECPs
Started by antti_karttunen |
2 Replies
4613 Views |
March 06, 2008, 11:40:17 am by antti_karttunen |
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how to calculate the spin natural orbital
Started by ardie |
0 Replies
2975 Views |
November 13, 2012, 01:35:05 pm by ardie |
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differential density
Started by arek1arek |
1 Replies
5140 Views |
March 27, 2008, 08:10:36 pm by arek1arek |
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option -proper
Started by arek1arek |
3 Replies
5783 Views |
March 14, 2008, 05:30:48 pm by uwe |
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plotting density of open shell
Started by cavallo |
4 Replies
6594 Views |
February 15, 2013, 02:51:29 pm by resofidentity |
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3 Replies
8260 Views |
October 14, 2015, 10:47:38 am by CharlesG |
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1 Replies
3617 Views |
January 20, 2011, 02:33:01 pm by christof.haettig |
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atomic electron density
Started by dinos |
1 Replies
4166 Views |
May 10, 2007, 11:08:55 pm by turbomaster |
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Generating .plt file
Started by dps17 |
2 Replies
4563 Views |
April 17, 2007, 11:04:54 pm by dps17 |
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1 Replies
4347 Views |
May 29, 2012, 12:43:05 pm by e.berardo |
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0 Replies
2977 Views |
March 31, 2010, 04:51:54 pm by evgeniy |
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0 Replies
2650 Views |
March 31, 2010, 11:36:27 am by evgeniy |
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1 Replies
2213 Views |
November 17, 2016, 05:21:19 pm by christof.haettig |
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LCAO coefficients
Started by Gopakumar |
0 Replies
3501 Views |
December 13, 2007, 11:37:28 am by Gopakumar |
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Visualization
Started by Gopakumar |
2 Replies
6013 Views |
January 22, 2007, 02:17:44 pm by antti_karttunen |
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