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point charge changed problem
Started by chenjinfeng |
1 Replies
2728 Views |
April 01, 2021, 03:08:47 PMby uwe |
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2 Replies
4354 Views |
February 07, 2022, 03:22:11 PM by ChrisS |
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MOVED: Problem with Mpgrad
Started by christof.haettig |
0 Replies
10406 Views |
February 13, 2007, 03:35:12 PM by christof.haettig |
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DFT-D4 energy for charged systems
Started by cneiss |
3 Replies
4122 Views |
March 02, 2022, 10:45:32 AM by uwe |
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ridft+dsp problem with Curium/HOH
Started by corey.taylor |
4 Replies
5330 Views |
November 26, 2019, 11:21:07 AM by corey.taylor |
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DSCF No Exchange Energy
Started by cwoods7 |
3 Replies
2973 Views |
February 17, 2024, 10:35:04 AM by chris.hol |
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Density plots from DSCF
Started by cwoods7 |
3 Replies
2511 Views |
March 13, 2024, 10:02:35 PM by uwe |
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fatal error in moredu
Started by Danylo |
1 Replies
6550 Views |
May 31, 2011, 11:03:42 AM by uwe |
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two-electron integrals
Started by Dawood234 |
0 Replies
205 Views |
May 10, 2024, 06:29:50 PM by Dawood234 |
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Segmentation Faults Using COSMO
Started by Dempsey |
2 Replies
4345 Views |
February 18, 2022, 05:02:00 PM by Dempsey |
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1 Replies
3540 Views |
December 23, 2023, 11:36:15 AM by yannickf |
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0 Replies
4121 Views |
December 15, 2021, 12:19:56 AM by dsahsah |
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Problem with BSSE calculation at DFT level
Started by dzd |
4 Replies
9009 Views |
April 17, 2013, 09:00:25 AM by uwe |
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Questions on grid size in dft
Started by evgeniy |
5 Replies
10263 Views |
December 05, 2013, 10:10:55 AM by Arnim |
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0 Replies
5226 Views |
November 22, 2013, 07:51:50 PM by evgeniy |
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Heavy DFT calculations
Started by evgeniy |
0 Replies
5235 Views |
January 16, 2012, 03:20:30 PM by evgeniy |
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2 Replies
6371 Views |
April 05, 2016, 06:09:34 PM by evgeniy |
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DSCF $incore integer overflow
Started by f.uhlig |
0 Replies
6120 Views |
December 17, 2010, 06:02:22 PM by f.uhlig |
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ridft probelm of 'actual -r'
Started by fantastic2012 |
4 Replies
12588 Views |
September 06, 2012, 04:55:33 PM by golden |
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1 Replies
6156 Views |
May 24, 2012, 01:35:42 PM by Arnim |
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