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DFT-D4 energy for charged systems
Started by cneiss |
3 Replies
4024 Views |
March 02, 2022, 10:45:32 AMby uwe |
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RIDFT problem
Started by golden |
3 Replies
4005 Views |
August 17, 2020, 07:13:44 PM by golden |
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5 Replies
3913 Views |
April 12, 2024, 01:12:46 AM by yannickf |
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1 Replies
3786 Views |
July 10, 2019, 08:45:11 PM by uwe |
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Problem with mpsts-noa2 in aoforce
Started by JakubV |
2 Replies
3632 Views |
February 18, 2023, 02:10:36 AM by JakubV |
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prinitng fock, density and overlap matrices
Started by KrisR |
1 Replies
3545 Views |
June 30, 2019, 08:34:23 PM by uwe |
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1 Replies
3440 Views |
December 23, 2023, 11:36:15 AM by yannickf |
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2 Replies
3399 Views |
September 27, 2023, 12:41:52 AM by jcardol |
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1 Replies
3351 Views |
July 10, 2023, 07:22:01 PM by uwe |
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1 Replies
3272 Views |
December 23, 2023, 11:28:27 AM by yannickf |
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0 Replies
3252 Views |
June 16, 2023, 04:30:39 PM by rusakov |
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2 Replies
3163 Views |
July 01, 2020, 08:18:01 PM by farmaceut |
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Triplet scf converges to singlet
Started by akn123 |
1 Replies
2960 Views |
March 26, 2020, 08:28:19 AM by antti_karttunen |
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DSCF No Exchange Energy
Started by cwoods7 |
3 Replies
2863 Views |
February 17, 2024, 10:35:04 AM by chris.hol |
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point charges in a HF-3c calculation
Started by makochman1 |
0 Replies
2816 Views |
July 27, 2021, 04:46:42 PM by makochman1 |
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point charge changed problem
Started by chenjinfeng |
1 Replies
2722 Views |
April 01, 2021, 03:08:47 PM by uwe |
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Density plots from DSCF
Started by cwoods7 |
3 Replies
2400 Views |
March 13, 2024, 10:02:35 PM by uwe |
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two-electron integrals
Started by Dawood234 |
0 Replies
88 Views |
May 10, 2024, 06:29:50 PM by Dawood234 |
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