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2 Replies
3714 Views |
February 07, 2022, 03:22:11 PMby ChrisS |
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0 Replies
3724 Views |
October 01, 2021, 01:06:36 AM by skundu07 |
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Manualy define DFT-D4 ($disp4) parameters
Started by mradon |
2 Replies
3733 Views |
May 16, 2022, 12:30:38 PM by mradon |
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RIDFT problem
Started by golden |
3 Replies
3880 Views |
August 17, 2020, 07:13:44 PM by golden |
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Localized Hartree-Fock / Localized DFT?
Started by JakubV |
3 Replies
4207 Views |
March 03, 2022, 11:25:09 AM by Arnim |
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RI-UHF error without error message
Started by JakubV |
1 Replies
4826 Views |
November 12, 2017, 09:57:12 PM by uwe |
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Heavy DFT calculations
Started by evgeniy |
0 Replies
4876 Views |
January 16, 2012, 03:20:30 PM by evgeniy |
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Continue with optimization
Started by fgn1986 |
0 Replies
4922 Views |
May 24, 2012, 02:49:22 PM by fgn1986 |
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Two-component calculations
Started by tayed |
0 Replies
5015 Views |
November 28, 2011, 10:46:00 AM by tayed |
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0 Replies
5032 Views |
December 08, 2011, 12:39:52 PM by tayed |
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odft output
Started by pazzik |
0 Replies
5041 Views |
October 07, 2014, 04:49:19 PM by pazzik |
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problem in running optimization
Started by jitmukherjeechem |
0 Replies
5114 Views |
May 14, 2012, 05:59:28 PM by jitmukherjeechem |
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0 Replies
5140 Views |
November 22, 2013, 07:51:50 PM by evgeniy |
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ridft+dsp problem with Curium/HOH
Started by corey.taylor |
4 Replies
5205 Views |
November 26, 2019, 11:21:07 AM by corey.taylor |
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Use of fully separable ECP
Started by MarcMB |
0 Replies
5255 Views |
May 18, 2011, 09:02:16 AM by MarcMB |
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0 Replies
5304 Views |
December 26, 2010, 11:55:06 AM by asaf |
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Cu2+ Ion Energy
Started by jenniferbjorklund |
1 Replies
5336 Views |
June 09, 2018, 10:06:26 PM by antti_karttunen |
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0 Replies
5349 Views |
December 06, 2012, 12:15:37 PM by vormar |
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Starting guess for Os atom
Started by ghill |
0 Replies
5405 Views |
January 06, 2011, 11:01:29 AM by ghill |
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0 Replies
5432 Views |
December 09, 2011, 02:40:12 PM by QuantumDude |
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