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Mulliken spin densities
Started by acapobia |
2 Replies
8167 Views |
February 11, 2014, 10:32:32 AMby acapobia |
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Atomic Orbital Contributions to MO
Started by Gopakumar |
2 Replies
8294 Views |
May 13, 2007, 02:37:27 PM by christof.haettig |
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Electrostatic potential
Started by djelenfi |
2 Replies
3948 Views |
March 28, 2019, 04:56:42 PM by djelenfi |
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Cube format and ECPs
Started by antti_karttunen |
2 Replies
7885 Views |
March 06, 2008, 11:40:17 AM by antti_karttunen |
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Generating .plt file
Started by dps17 |
2 Replies
7896 Views |
April 17, 2007, 11:04:54 PM by dps17 |
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2 Replies
10339 Views |
July 08, 2015, 02:41:39 PM by uwe |
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egrad does not write ed.plt
Started by antti_karttunen |
2 Replies
7263 Views |
June 26, 2008, 11:23:30 AM by antti_karttunen |
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2 Replies
7495 Views |
July 10, 2008, 03:46:50 PM by uwe |
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Fluorescence figure and $exopt add
Started by wuhen |
2 Replies
6547 Views |
September 11, 2009, 03:28:14 PM by wuhen |
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Electrostatic potential map
Started by mariavd |
2 Replies
8157 Views |
May 11, 2016, 11:53:47 AM by mariavd |
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3 Replies
13091 Views |
October 14, 2015, 10:47:38 AM by CharlesG |
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3 Replies
9486 Views |
January 05, 2014, 11:27:53 PM by woland |
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freeH partition function calculation
Started by Dempsey |
3 Replies
3238 Views |
July 11, 2023, 07:43:33 PM by Dempsey |
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3 Replies
4840 Views |
October 22, 2020, 05:47:13 PM by jfurness |
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option -proper
Started by arek1arek |
3 Replies
9588 Views |
March 14, 2008, 05:30:48 PM by uwe |
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WARNING: HOMO-LUMO Gap is negativ
Started by tanguyv |
3 Replies
19910 Views |
June 16, 2009, 10:35:50 AM by tanguyv |
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does the .cube write work at all?
Started by sampsa |
3 Replies
7999 Views |
March 20, 2012, 03:20:35 PM by JanM |
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plotting density of open shell
Started by cavallo |
3 Replies
10271 Views |
September 04, 2008, 10:02:22 AM by mpjohans |
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Printing overlap/fock matrix
Started by Molcasito |
3 Replies
8941 Views |
July 11, 2008, 04:20:57 PM by Molcasito |
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How generate wfn file in TM V6.3
Started by tayed |
4 Replies
11850 Views |
February 26, 2013, 07:52:04 PM by Hauke |
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