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NTO Generation of X2C Calculations
Started by hherbol |
0 Replies
1535 Views |
October 28, 2024, 09:19:21 PMby hherbol |
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SOC Constants
Started by hherbol |
0 Replies
2562 Views |
October 29, 2024, 03:32:58 PM by hherbol |
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TDDFT with B97-3c
Started by luyj |
0 Replies
5845 Views |
June 12, 2020, 06:22:55 PM by luyj |
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0 Replies
6506 Views |
April 02, 2019, 10:46:52 AM by rvaliev |
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1 Replies
6564 Views |
April 05, 2024, 03:42:52 PM by yannickf |
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Egrad with TPSSH-functional
Started by fkreu |
1 Replies
6593 Views |
July 14, 2020, 05:44:52 PM by Arnim |
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Subsequent Escf runs - How to?
Started by marcen |
0 Replies
6699 Views |
March 14, 2018, 10:56:15 AM by marcen |
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Symmetry of excited states
Started by dcav |
0 Replies
6873 Views |
December 10, 2017, 12:45:02 PM by dcav |
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gradient evaluation error
Started by wasif |
0 Replies
6884 Views |
June 01, 2018, 05:12:29 AM by wasif |
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Temperature of Raman scatt. cross sections
Started by Punix |
0 Replies
6997 Views |
June 09, 2017, 09:34:59 AM by Punix |
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twoint empty
Started by jbaltrus |
0 Replies
7328 Views |
June 22, 2011, 03:44:54 PM by jbaltrus |
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0 Replies
7527 Views |
September 21, 2016, 10:43:17 AM by Xiaoyan |
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Error during GW calculation with symmetry
Started by fbHRO |
0 Replies
7603 Views |
September 25, 2023, 03:31:00 PM by fbHRO |
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1 Replies
7682 Views |
August 29, 2019, 04:03:21 PM by finrod |
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TDDFT cosmo
Started by jbaltrus |
0 Replies
7771 Views |
October 02, 2010, 01:56:30 AM by jbaltrus |
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0 Replies
7828 Views |
June 26, 2012, 12:24:47 PM by martijn |
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Combining population analysis and ricc2.
Started by Addiw7 |
0 Replies
7832 Views |
April 09, 2013, 10:59:04 PM by Addiw7 |
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can escf run in parallel?
Started by golden |
1 Replies
7845 Views |
February 28, 2012, 07:47:33 AM by antti_karttunen |
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How to switch off the XC kernel?
Started by JohnZhou_case |
0 Replies
7929 Views |
April 18, 2022, 09:10:23 PM by JohnZhou_case |
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Strange excitations while using desy
Started by Kwiatkowski |
1 Replies
7939 Views |
October 01, 2015, 10:34:26 AM by christof.haettig |
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