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two-electron integrals
Started by Dawood234 |
0 Replies
158 Views |
May 10, 2024, 06:29:50 PMby Dawood234 |
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Density plots from DSCF
Started by cwoods7 |
3 Replies
2452 Views |
March 13, 2024, 10:02:35 PM by uwe |
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point charge changed problem
Started by chenjinfeng |
1 Replies
2727 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
2823 Views |
July 27, 2021, 04:46:42 PM by makochman1 |
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DSCF No Exchange Energy
Started by cwoods7 |
3 Replies
2920 Views |
February 17, 2024, 10:35:04 AM by chris.hol |
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Triplet scf converges to singlet
Started by akn123 |
1 Replies
2968 Views |
March 26, 2020, 08:28:19 AM by antti_karttunen |
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2 Replies
3166 Views |
July 01, 2020, 08:18:01 PM by farmaceut |
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0 Replies
3299 Views |
June 16, 2023, 04:30:39 PM by rusakov |
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3 Replies
3335 Views |
Today at 04:43:58 PM by yannickf |
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1 Replies
3401 Views |
July 10, 2023, 07:22:01 PM by uwe |
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2 Replies
3449 Views |
September 27, 2023, 12:41:52 AM by jcardol |
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1 Replies
3490 Views |
December 23, 2023, 11:36:15 AM by yannickf |
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prinitng fock, density and overlap matrices
Started by KrisR |
1 Replies
3548 Views |
June 30, 2019, 08:34:23 PM by uwe |
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Problem with mpsts-noa2 in aoforce
Started by JakubV |
2 Replies
3677 Views |
February 18, 2023, 02:10:36 AM by JakubV |
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1 Replies
3788 Views |
July 10, 2019, 08:45:11 PM by uwe |
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5 Replies
3963 Views |
April 12, 2024, 01:12:46 AM by yannickf |
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RIDFT problem
Started by golden |
3 Replies
4011 Views |
August 17, 2020, 07:13:44 PM by golden |
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0 Replies
4070 Views |
December 15, 2021, 12:19:56 AM by dsahsah |
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DFT-D4 energy for charged systems
Started by cneiss |
3 Replies
4072 Views |
March 02, 2022, 10:45:32 AM by uwe |
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D4 - Edisp /kcal,au: NaN NaN
Started by martijn |
3 Replies
4159 Views |
May 02, 2022, 08:58:50 PM by uwe |
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