Subject / Started by | Replies / Views | Last post | ||
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Density plots from DSCF
Started by cwoods7 |
3 Replies
710 Views |
March 13, 2024, 10:02:35 PM by uwe |
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DSCF No Exchange Energy
Started by cwoods7 |
3 Replies
1237 Views |
February 17, 2024, 10:35:04 AM by chris.hol |
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1 Replies
1694 Views |
December 23, 2023, 11:28:27 AM by yannickf |
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0 Replies
1716 Views |
June 16, 2023, 04:30:39 PM by rusakov |
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1 Replies
1793 Views |
July 10, 2023, 07:22:01 PM by uwe |
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2 Replies
1814 Views |
September 27, 2023, 12:41:52 AM by jcardol |
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1 Replies
1866 Views |
December 23, 2023, 11:36:15 AM by yannickf |
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4 Replies
1944 Views |
January 04, 2024, 10:39:10 PM by yannickf |
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Problem with mpsts-noa2 in aoforce
Started by JakubV |
2 Replies
2030 Views |
February 18, 2023, 02:10:36 AM by JakubV |
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point charge changed problem
Started by chenjinfeng |
1 Replies
2321 Views |
April 01, 2021, 03:08:47 PM by uwe |
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point charges in a HF-3c calculation
Started by makochman1 |
0 Replies
2375 Views |
July 27, 2021, 04:46:42 PM by makochman1 |
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DFT-D4 energy for charged systems
Started by cneiss |
3 Replies
2410 Views |
March 02, 2022, 10:45:32 AM by uwe |
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0 Replies
2457 Views |
December 15, 2021, 12:19:56 AM by dsahsah |
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D4 - Edisp /kcal,au: NaN NaN
Started by martijn |
3 Replies
2516 Views |
May 02, 2022, 08:58:50 PM by uwe |
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Triplet scf converges to singlet
Started by akn123 |
1 Replies
2588 Views |
March 26, 2020, 08:28:19 AM by antti_karttunen |
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2 Replies
2631 Views |
March 08, 2022, 05:40:47 AM by prasanta13 |
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2 Replies
2653 Views |
February 07, 2022, 03:22:11 PM by ChrisS |
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Segmentation Faults Using COSMO
Started by Dempsey |
2 Replies
2662 Views |
February 18, 2022, 05:02:00 PM by Dempsey |
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Manualy define DFT-D4 ($disp4) parameters
Started by mradon |
2 Replies
2671 Views |
May 16, 2022, 12:30:38 PM by mradon |
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0 Replies
2677 Views |
October 01, 2021, 01:06:36 AM by skundu07 |
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