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How to switch off the XC kernel?
Started by JohnZhou_case |
0 Replies
6705 Views |
April 18, 2022, 09:10:23 PMby JohnZhou_case |
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0 Replies
9146 Views |
May 16, 2008, 04:28:16 PM by wiking |
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Combining population analysis and ricc2.
Started by Addiw7 |
0 Replies
7557 Views |
April 09, 2013, 10:59:04 PM by Addiw7 |
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gradient evaluation error
Started by wasif |
0 Replies
6564 Views |
June 01, 2018, 05:12:29 AM by wasif |
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hyperpolarizability
Started by onthefly |
0 Replies
9179 Views |
July 24, 2008, 10:31:29 AM by onthefly |
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0 Replies
7551 Views |
June 26, 2012, 12:24:47 PM by martijn |
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0 Replies
6157 Views |
April 02, 2019, 10:46:52 AM by rvaliev |
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TDDFT with B97-3c
Started by luyj |
0 Replies
5484 Views |
June 12, 2020, 06:22:55 PM by luyj |
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How can I get transition density?
Started by ylniu |
0 Replies
8993 Views |
March 10, 2009, 12:01:10 AM by ylniu |
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Spin-Orbit coupling
Started by plato |
0 Replies
9648 Views |
April 30, 2009, 10:38:58 PM by plato |
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electrostatic properties of excited states
Started by plato |
0 Replies
8525 Views |
June 19, 2009, 01:44:00 PM by plato |
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SOC Constants
Started by hherbol |
0 Replies
641 Views |
October 29, 2024, 03:32:58 PM by hherbol |
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0 Replies
7844 Views |
March 22, 2010, 04:59:41 PM by kmlin |
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twoint empty
Started by jbaltrus |
0 Replies
7063 Views |
June 22, 2011, 03:44:54 PM by jbaltrus |
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Subsequent Escf runs - How to?
Started by marcen |
0 Replies
6381 Views |
March 14, 2018, 10:56:15 AM by marcen |
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Symmetry of excited states
Started by dcav |
0 Replies
6559 Views |
December 10, 2017, 12:45:02 PM by dcav |
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NTO Generation of X2C Calculations
Started by hherbol |
0 Replies
292 Views |
October 28, 2024, 09:19:21 PM by hherbol |
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0 Replies
7752 Views |
February 06, 2015, 02:00:28 PM by Leprechaum |
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0 Replies
7216 Views |
September 21, 2016, 10:43:17 AM by Xiaoyan |
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triplets-spin contamination
Started by milianb |
0 Replies
10207 Views |
June 01, 2007, 11:38:31 AM by milianb |
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