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Error during GW calculation with symmetry
Started by fbHRO |
0 Replies
32 Views |
September 25, 2023, 03:31:00 PMby fbHRO |
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Modification of revM11
Started by marand |
2 Replies
199 Views |
July 12, 2023, 09:29:10 AM by marand |
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Permanent dipole moment excited states
Started by dpleft |
2 Replies
204 Views |
June 27, 2023, 06:49:43 PM by dpleft |
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Egrad
Started by Pandiselvi |
2 Replies
1353 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
389 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
750 Views |
April 18, 2022, 09:10:23 PM by JohnZhou_case |
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cdspectrum file content
Started by martijn |
1 Replies
785 Views |
March 03, 2022, 11:52:06 AM by Arnim |
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4 Replies
1655 Views |
September 23, 2021, 11:10:58 PM by martijn |
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TDDFT Transition Dipole Reference
Started by robagl9695 |
2 Replies
1306 Views |
June 03, 2021, 10:28:34 PM by robagl9695 |
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1 Replies
1135 Views |
May 25, 2021, 11:55:15 AM by chris.hol |
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5 Replies
1575 Views |
May 10, 2021, 02:14:01 PM by chris.hol |
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qsGW vs evGW convergence
Started by martijn |
2 Replies
1341 Views |
April 23, 2021, 10:45:55 AM by martijn |
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evGW issues
Started by martijn |
6 Replies
2540 Views |
December 21, 2020, 12:24:30 AM by martijn |
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Analysis of BSE excitations
Started by martijn |
3 Replies
1690 Views |
November 07, 2020, 02:13:39 AM by martijn |
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escf for open-shell
Started by cdicker2 |
2 Replies
1741 Views |
August 27, 2020, 01:18:33 AM by cdicker2 |
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BSE excitation calculations
Started by martijn |
3 Replies
1723 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
2161 Views |
August 01, 2020, 11:40:08 AM by chris.hol |
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Egrad with TPSSH-functional
Started by fkreu |
1 Replies
1751 Views |
July 14, 2020, 05:44:52 PM by Arnim |
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TDDFT with B97-3c
Started by luyj |
0 Replies
1832 Views |
June 12, 2020, 06:22:55 PM by luyj |
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TD DFT - excited state natural orbitals
Started by qadir |
5 Replies
9090 Views |
March 19, 2020, 04:28:02 PM by finrod |
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