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D4 - Edisp /kcal,au: NaN NaN
Started by martijn |
9 Replies
17524 Views |
July 03, 2024, 06:35:23 PMby rusakov |
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undocumented option for DFT-NL
Started by acd81 |
7 Replies
6752 Views |
June 11, 2024, 10:22:31 AM by acd81 |
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3 Replies
9030 Views |
May 13, 2024, 04:43:58 PM by yannickf |
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two-electron integrals
Started by Dawood234 |
0 Replies
4826 Views |
May 10, 2024, 06:29:50 PM by Dawood234 |
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5 Replies
10774 Views |
April 12, 2024, 01:12:46 AM by yannickf |
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Density plots from DSCF
Started by cwoods7 |
3 Replies
7878 Views |
March 13, 2024, 10:02:35 PM by uwe |
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DSCF No Exchange Energy
Started by cwoods7 |
3 Replies
8305 Views |
February 17, 2024, 10:35:04 AM by chris.hol |
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1 Replies
8339 Views |
December 23, 2023, 11:36:15 AM by yannickf |
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2 Replies
8455 Views |
September 27, 2023, 12:41:52 AM by jcardol |
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1 Replies
7634 Views |
July 10, 2023, 07:22:01 PM by uwe |
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0 Replies
7245 Views |
June 16, 2023, 04:30:39 PM by rusakov |
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Problem with mpsts-noa2 in aoforce
Started by JakubV |
2 Replies
8003 Views |
February 18, 2023, 02:10:36 AM by JakubV |
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Manualy define DFT-D4 ($disp4) parameters
Started by mradon |
2 Replies
8679 Views |
May 16, 2022, 12:30:38 PM by mradon |
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2 Replies
8548 Views |
March 08, 2022, 05:40:47 AM by prasanta13 |
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Localized Hartree-Fock / Localized DFT?
Started by JakubV |
3 Replies
9369 Views |
March 03, 2022, 11:25:09 AM by Arnim |
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DFT-D4 energy for charged systems
Started by cneiss |
3 Replies
8445 Views |
March 02, 2022, 10:45:32 AM by uwe |
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Segmentation Faults Using COSMO
Started by Dempsey |
2 Replies
8668 Views |
February 18, 2022, 05:02:00 PM by Dempsey |
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2 Replies
8670 Views |
February 07, 2022, 03:22:11 PM by ChrisS |
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0 Replies
7801 Views |
December 15, 2021, 12:19:56 AM by dsahsah |
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0 Replies
8065 Views |
October 01, 2021, 01:06:36 AM by skundu07 |
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