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egrad density difference (ed.plt)
Started by Helph |
2 Replies
2524 Views |
April 15, 2024, 09:39:25 AMby Helph |
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1 Replies
988 Views |
April 05, 2024, 03:42:52 PM by yannickf |
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-2c cbas auxiliary basis-sets
Started by martijn |
1 Replies
2925 Views |
December 23, 2023, 11:44:04 AM by yannickf |
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Error during GW calculation with symmetry
Started by fbHRO |
0 Replies
2686 Views |
September 25, 2023, 03:31:00 PM by fbHRO |
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Modification of revM11
Started by marand |
2 Replies
2844 Views |
July 12, 2023, 09:29:10 AM by marand |
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Permanent dipole moment excited states
Started by dpleft |
2 Replies
2881 Views |
June 27, 2023, 06:49:43 PM by dpleft |
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Egrad
Started by Pandiselvi |
2 Replies
4055 Views |
March 24, 2023, 04:54:41 PM by Pingping |
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Escf for 2c- (spin-orbit) SCF/DFT
Started by JakubV |
3 Replies
3133 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
3337 Views |
April 18, 2022, 09:10:23 PM by JohnZhou_case |
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cdspectrum file content
Started by martijn |
1 Replies
3412 Views |
March 03, 2022, 11:52:06 AM by Arnim |
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4 Replies
4416 Views |
September 23, 2021, 11:10:58 PM by martijn |
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TDDFT Transition Dipole Reference
Started by robagl9695 |
2 Replies
3979 Views |
June 03, 2021, 10:28:34 PM by robagl9695 |
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1 Replies
3772 Views |
May 25, 2021, 11:55:15 AM by chris.hol |
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5 Replies
4435 Views |
May 10, 2021, 02:14:01 PM by chris.hol |
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qsGW vs evGW convergence
Started by martijn |
2 Replies
3994 Views |
April 23, 2021, 10:45:55 AM by martijn |
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evGW issues
Started by martijn |
6 Replies
5463 Views |
December 21, 2020, 12:24:30 AM by martijn |
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Analysis of BSE excitations
Started by martijn |
3 Replies
4422 Views |
November 07, 2020, 02:13:39 AM by martijn |
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escf for open-shell
Started by cdicker2 |
2 Replies
4456 Views |
August 27, 2020, 01:18:33 AM by cdicker2 |
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BSE excitation calculations
Started by martijn |
3 Replies
4468 Views |
August 05, 2020, 11:42:58 AM by chris.hol |
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rigw_contour vs rigw vs GW
Started by martijn |
5 Replies
4992 Views |
August 01, 2020, 11:40:08 AM by chris.hol |
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