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Segmentation Faults Using COSMO
Started by Dempsey |
2 Replies
4496 Views |
February 18, 2022, 05:02:00 PMby Dempsey |
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Manualy define DFT-D4 ($disp4) parameters
Started by mradon |
2 Replies
4496 Views |
May 16, 2022, 12:30:38 PM by mradon |
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2 Replies
4501 Views |
February 07, 2022, 03:22:11 PM by ChrisS |
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0 Replies
4502 Views |
October 01, 2021, 01:06:36 AM by skundu07 |
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5 Replies
4624 Views |
April 12, 2024, 01:12:46 AM by yannickf |
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RI-UHF error without error message
Started by JakubV |
1 Replies
5037 Views |
November 12, 2017, 09:57:12 PM by uwe |
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Localized Hartree-Fock / Localized DFT?
Started by JakubV |
3 Replies
5053 Views |
March 03, 2022, 11:25:09 AM by Arnim |
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odft output
Started by pazzik |
0 Replies
5236 Views |
October 07, 2014, 04:49:19 PM by pazzik |
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0 Replies
5344 Views |
November 22, 2013, 07:51:50 PM by evgeniy |
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Heavy DFT calculations
Started by evgeniy |
0 Replies
5382 Views |
January 16, 2012, 03:20:30 PM by evgeniy |
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ridft+dsp problem with Curium/HOH
Started by corey.taylor |
4 Replies
5450 Views |
November 26, 2019, 11:21:07 AM by corey.taylor |
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Continue with optimization
Started by fgn1986 |
0 Replies
5472 Views |
May 24, 2012, 02:49:22 PM by fgn1986 |
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Two-component calculations
Started by tayed |
0 Replies
5519 Views |
November 28, 2011, 10:46:00 AM by tayed |
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Cu2+ Ion Energy
Started by jenniferbjorklund |
1 Replies
5537 Views |
June 09, 2018, 10:06:26 PM by antti_karttunen |
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0 Replies
5538 Views |
December 08, 2011, 12:39:52 PM by tayed |
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error of main call to DSYEVD
Started by yuniawan |
1 Replies
5640 Views |
May 10, 2016, 12:10:50 PM by uwe |
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1 Replies
5671 Views |
October 04, 2017, 04:31:43 PM by romarine |
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problem in running optimization
Started by jitmukherjeechem |
0 Replies
5671 Views |
May 14, 2012, 05:59:28 PM by jitmukherjeechem |
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LibXC index numbers
Started by martijn |
1 Replies
5718 Views |
October 25, 2019, 06:18:59 PM by uwe |
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SCF Iterations in TURBOMOLE 7.2
Started by saleheen_noman |
2 Replies
5749 Views |
May 04, 2018, 06:56:01 PM by saleheen_noman |
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