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1 Replies
961 Views |
April 05, 2024, 03:42:52 PMby yannickf |
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egrad density difference (ed.plt)
Started by Helph |
2 Replies
2490 Views |
April 15, 2024, 09:39:25 AM by Helph |
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Error during GW calculation with symmetry
Started by fbHRO |
0 Replies
2658 Views |
September 25, 2023, 03:31:00 PM by fbHRO |
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Modification of revM11
Started by marand |
2 Replies
2814 Views |
July 12, 2023, 09:29:10 AM by marand |
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Permanent dipole moment excited states
Started by dpleft |
2 Replies
2849 Views |
June 27, 2023, 06:49:43 PM by dpleft |
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TDDFT with B97-3c
Started by luyj |
0 Replies
2881 Views |
June 12, 2020, 06:22:55 PM by luyj |
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-2c cbas auxiliary basis-sets
Started by martijn |
1 Replies
2896 Views |
December 23, 2023, 11:44:04 AM by yannickf |
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Escf for 2c- (spin-orbit) SCF/DFT
Started by JakubV |
3 Replies
3101 Views |
February 15, 2023, 11:56:32 AM by chris.hol |
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How to switch off the XC kernel?
Started by JohnZhou_case |
0 Replies
3308 Views |
April 18, 2022, 09:10:23 PM by JohnZhou_case |
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cdspectrum file content
Started by martijn |
1 Replies
3380 Views |
March 03, 2022, 11:52:06 AM by Arnim |
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Egrad with TPSSH-functional
Started by fkreu |
1 Replies
3675 Views |
July 14, 2020, 05:44:52 PM by Arnim |
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0 Replies
3698 Views |
April 02, 2019, 10:46:52 AM by rvaliev |
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1 Replies
3742 Views |
May 25, 2021, 11:55:15 AM by chris.hol |
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TDDFT Transition Dipole Reference
Started by robagl9695 |
2 Replies
3951 Views |
June 03, 2021, 10:28:34 PM by robagl9695 |
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qsGW vs evGW convergence
Started by martijn |
2 Replies
3963 Views |
April 23, 2021, 10:45:55 AM by martijn |
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Subsequent Escf runs - How to?
Started by marcen |
0 Replies
3964 Views |
March 14, 2018, 10:56:15 AM by marcen |
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Egrad
Started by Pandiselvi |
2 Replies
4023 Views |
March 24, 2023, 04:54:41 PM by Pingping |
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gradient evaluation error
Started by wasif |
0 Replies
4162 Views |
June 01, 2018, 05:12:29 AM by wasif |
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Symmetry of excited states
Started by dcav |
0 Replies
4197 Views |
December 10, 2017, 12:45:02 PM by dcav |
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Temperature of Raman scatt. cross sections
Started by Punix |
0 Replies
4365 Views |
June 09, 2017, 09:34:59 AM by Punix |
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