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2 Replies
7137 Views |
April 13, 2011, 08:04:14 AMby antti_karttunen |
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error in dscf with ghost atom (with basis)
Started by marand |
2 Replies
7401 Views |
November 08, 2012, 09:38:25 AM by marand |
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D4 - Edisp /kcal,au: NaN NaN
Started by martijn |
3 Replies
4337 Views |
May 02, 2022, 08:58:50 PM by uwe |
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3 Replies
3632 Views |
May 13, 2024, 04:43:58 PM by yannickf |
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Test ridft
Started by wojek |
3 Replies
8371 Views |
August 21, 2009, 09:48:01 AM by uwe |
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Double-Hybrid Density Functionals (DHDF)
Started by ok |
3 Replies
8543 Views |
June 08, 2009, 10:53:24 AM by Arnim |
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scforbitalshift
Started by keyari79 |
3 Replies
8561 Views |
January 16, 2009, 04:26:50 PM by christof.haettig |
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3 Replies
9412 Views |
December 13, 2017, 11:07:36 AM by uwe |
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3 Replies
9223 Views |
January 11, 2009, 12:54:25 PM by christof.haettig |
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HF problems with diffuse basis set
Started by mpjohans |
3 Replies
8669 Views |
July 30, 2021, 11:47:32 AM by prasanta13 |
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RIDFT problem
Started by golden |
3 Replies
4128 Views |
August 17, 2020, 07:13:44 PM by golden |
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DSCF No Exchange Energy
Started by cwoods7 |
3 Replies
3115 Views |
February 17, 2024, 10:35:04 AM by chris.hol |
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3 Replies
7812 Views |
October 21, 2010, 12:01:41 PM by uwe |
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RHF mos as UHF guess
Started by acapobia |
3 Replies
7170 Views |
December 09, 2013, 01:34:02 PM by Arnim |
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Localized Hartree-Fock / Localized DFT?
Started by JakubV |
3 Replies
5038 Views |
March 03, 2022, 11:25:09 AM by Arnim |
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Density plots from DSCF
Started by cwoods7 |
3 Replies
2654 Views |
March 13, 2024, 10:02:35 PM by uwe |
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DFT-D4 energy for charged systems
Started by cneiss |
3 Replies
4261 Views |
March 02, 2022, 10:45:32 AM by uwe |
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RI for hybrid DFT
Started by Marisa |
4 Replies
12077 Views |
October 07, 2008, 02:13:38 PM by Marisa |
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TM 6.3: problems with ridft (parallel)
Started by t.kerber |
4 Replies
6978 Views |
February 03, 2014, 03:13:38 PM by uwe |
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major difference between pbe and b3-lyp
Started by foea |
4 Replies
8577 Views |
November 14, 2011, 03:06:21 PM by foea |
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