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QTAIM for periodic calculations
Started by max_sam |
0 Replies
3231 Views |
December 02, 2021, 04:59:06 PMby max_sam |
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What does the output of freeH mean?
Started by Dempsey |
2 Replies
3534 Views |
March 07, 2022, 11:03:26 AM by Dempsey |
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6 Replies
4470 Views |
March 10, 2022, 01:16:19 PM by prasanta13 |
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plt tool mislabelling atoms with ECPs
Started by Dempsey |
1 Replies
3046 Views |
May 14, 2022, 10:18:52 PM by uwe |
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6 Replies
3464 Views |
July 11, 2022, 01:11:21 PM by prasanta13 |
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TDDFT-Transition densities
Started by Pandiselvi |
1 Replies
3169 Views |
September 15, 2022, 10:35:28 AM by t-iwasa |
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0 Replies
2939 Views |
September 15, 2022, 10:38:37 AM by t-iwasa |
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2 Replies
2736 Views |
May 31, 2023, 12:33:41 PM by Dempsey |
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freeH partition function calculation
Started by Dempsey |
3 Replies
2655 Views |
July 11, 2023, 07:43:33 PM by Dempsey |
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5 Replies
4871 Views |
November 28, 2023, 11:43:29 AM by uwe |
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[HowTo] Generate NTOs from TDDFT
Started by finrod |
6 Replies
6418 Views |
December 25, 2023, 09:51:28 PM by shafikoff |
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Population analysis new vs old (moloch)
Started by Robin1991 |
2 Replies
2666 Views |
March 24, 2024, 05:57:16 PM by christof.haettig |
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How to generat file47 for gennbo (NBO7)
Started by KrisR |
6 Replies
9439 Views |
March 24, 2024, 06:00:38 PM by christof.haettig |
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