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quadrupole moments
Started by a.karl |
1 Replies
10313 Views |
March 04, 2008, 10:32:28 AMby christof.haettig |
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4 Replies
10865 Views |
February 12, 2009, 12:11:43 AM by acapobia |
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1 Replies
5671 Views |
October 24, 2012, 07:43:55 PM by acapobia |
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Mulliken spin densities
Started by acapobia |
2 Replies
8157 Views |
February 11, 2014, 10:32:32 AM by acapobia |
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Hirshfeld charges
Started by Andreas Heyden |
1 Replies
3407 Views |
February 27, 2019, 08:21:44 PM by uwe |
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egrad does not write ed.plt
Started by antti_karttunen |
2 Replies
7243 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
7856 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
5391 Views |
November 13, 2012, 01:35:05 PM by ardie |
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option -proper
Started by arek1arek |
3 Replies
9547 Views |
March 14, 2008, 05:30:48 PM by uwe |
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differential density
Started by arek1arek |
1 Replies
8294 Views |
March 27, 2008, 08:10:36 PM by arek1arek |
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plotting density of open shell
Started by cavallo |
3 Replies
10245 Views |
September 04, 2008, 10:02:22 AM by mpjohans |
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3 Replies
13076 Views |
October 14, 2015, 10:47:38 AM by CharlesG |
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1 Replies
6048 Views |
January 20, 2011, 02:33:01 PM by christof.haettig |
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plt tool mislabelling atoms with ECPs
Started by Dempsey |
1 Replies
3446 Views |
May 14, 2022, 10:18:52 PM by uwe |
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freeH partition function calculation
Started by Dempsey |
3 Replies
3057 Views |
July 11, 2023, 07:43:33 PM by Dempsey |
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What does the output of freeH mean?
Started by Dempsey |
2 Replies
3929 Views |
March 07, 2022, 11:03:26 AM by Dempsey |
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2 Replies
3130 Views |
May 31, 2023, 12:33:41 PM by Dempsey |
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atomic electron density
Started by dinos |
1 Replies
7001 Views |
May 10, 2007, 11:08:55 PM by turbomaster |
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Electrostatic potential
Started by djelenfi |
2 Replies
3935 Views |
March 28, 2019, 04:56:42 PM by djelenfi |
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Generating .plt file
Started by dps17 |
2 Replies
7850 Views |
April 17, 2007, 11:04:54 PM by dps17 |
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