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2 Replies
10426 Views |
July 08, 2015, 02:41:39 PMby uwe |
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How to generat file47 for gennbo (NBO7)
Started by KrisR |
6 Replies
10540 Views |
March 24, 2024, 06:00:38 PM by christof.haettig |
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quadrupole moments
Started by a.karl |
1 Replies
10636 Views |
March 04, 2008, 10:32:28 AM by christof.haettig |
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questions on t2x
Started by zhangustc |
5 Replies
10645 Views |
July 02, 2008, 10:54:54 AM by martijn |
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4 Replies
10980 Views |
February 12, 2009, 12:11:43 AM by acapobia |
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5 Replies
11669 Views |
June 04, 2008, 11:43:10 AM by uwe |
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How generate wfn file in TM V6.3
Started by tayed |
4 Replies
11951 Views |
February 26, 2013, 07:52:04 PM by Hauke |
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3 Replies
13160 Views |
October 14, 2015, 10:47:38 AM by CharlesG |
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12 Replies
13703 Views |
May 03, 2013, 09:23:27 AM by antti_karttunen |
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Faulty wfn files
Started by hmsenn |
8 Replies
15356 Views |
July 11, 2009, 11:37:08 AM by sebastian |
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Localization of virtual orbitals
Started by Matteo Guglielmi |
7 Replies
15630 Views |
April 15, 2008, 04:53:55 PM by christof.haettig |
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Generate WFN file
Started by scope |
2 Replies
17076 Views |
June 02, 2008, 04:44:03 PM by christof.haettig |
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WARNING: HOMO-LUMO Gap is negativ
Started by tanguyv |
3 Replies
20000 Views |
June 16, 2009, 10:35:50 AM by tanguyv |
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