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Replies / Views | Last post | ||
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Egrad
Started by Pandiselvi |
1 Replies
1003 Views |
September 15, 2021, 03:47:11 PMby uwe |
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0 Replies
4476 Views |
June 26, 2012, 12:24:47 PM by martijn |
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EGRAD and NBO
Started by jchackett |
1 Replies
5474 Views |
May 28, 2009, 10:16:07 AM by Arnim |
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1 Replies
7385 Views |
June 16, 2008, 01:12:51 PM by christof.haettig |
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egrad error: nfun > 10
Started by sv |
4 Replies
8017 Views |
December 21, 2007, 11:43:47 AM by uwe |
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Egrad with TPSSH-functional
Started by fkreu |
1 Replies
1552 Views |
July 14, 2020, 05:44:52 PM by Arnim |
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1 Replies
5960 Views |
April 12, 2011, 05:36:08 PM by uwe |
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electrostatic properties of excited states
Started by plato |
0 Replies
5410 Views |
June 19, 2009, 01:44:00 PM by plato |
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Error message from ESCF
Started by slackenerny |
3 Replies
8964 Views |
August 06, 2010, 09:15:23 PM by uwe |
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1 Replies
7957 Views |
February 26, 2007, 08:53:26 AM by uwe |
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1 Replies
3691 Views |
August 29, 2019, 04:03:21 PM by finrod |
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Escf for 2c- (spin-orbit) SCF/DFT
Started by JakubV |
3 Replies
135 Views |
February 15, 2023, 11:56:32 AM by chris.hol |
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escf for open-shell
Started by cdicker2 |
2 Replies
1527 Views |
August 27, 2020, 01:18:33 AM by cdicker2 |
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1 Replies
6616 Views |
June 02, 2008, 06:11:01 PM by christof.haettig |
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evGW issues
Started by martijn |
6 Replies
2236 Views |
December 21, 2020, 12:24:30 AM by martijn |
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2 Replies
5595 Views |
February 05, 2015, 06:48:12 PM by Jerry |
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1 Replies
6167 Views |
June 07, 2010, 11:02:32 AM by Arnim |
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exited state polarizability
Started by lsikk |
2 Replies
8132 Views |
March 27, 2009, 02:57:09 PM by christof.haettig |
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gradient evaluation error
Started by wasif |
0 Replies
3481 Views |
June 01, 2018, 05:12:29 AM by wasif |
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How can I get transition density?
Started by ylniu |
0 Replies
5778 Views |
March 10, 2009, 12:01:10 AM by ylniu |
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