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unreliable spectra with radless
Started by hd1055 |
0 Replies
42 Views |
November 18, 2020, 11:30:25 AMby hd1055 |
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Analysis of BSE excitations
Started by martijn |
3 Replies
158 Views |
November 07, 2020, 02:13:39 AM by martijn |
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evGW issues
Started by martijn |
4 Replies
471 Views |
September 25, 2020, 12:05:11 PM by martijn |
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escf for open-shell
Started by cdicker2 |
2 Replies
269 Views |
August 27, 2020, 01:18:33 AM by cdicker2 |
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BSE excitation calculations
Started by martijn |
3 Replies
337 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
563 Views |
August 01, 2020, 11:40:08 AM by chris.hol |
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Egrad with TPSSH-functional
Started by fkreu |
1 Replies
381 Views |
July 14, 2020, 05:44:52 PM by Arnim |
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1 Replies
397 Views |
July 02, 2020, 06:37:46 PM by resofidentity |
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TDDFT with B97-3c
Started by luyj |
0 Replies
509 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
6937 Views |
March 19, 2020, 04:28:02 PM by finrod |
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1 Replies
2343 Views |
August 29, 2019, 04:03:21 PM by finrod |
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0 Replies
1837 Views |
April 02, 2019, 10:46:52 AM by rvaliev |
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gradient evaluation error
Started by wasif |
0 Replies
2394 Views |
June 01, 2018, 05:12:29 AM by wasif |
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Subsequent Escf runs - How to?
Started by marcen |
0 Replies
2263 Views |
March 14, 2018, 10:56:15 AM by marcen |
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Symmetry of excited states
Started by dcav |
0 Replies
2553 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
2922 Views |
June 09, 2017, 09:34:59 AM by Punix |
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0 Replies
3319 Views |
September 21, 2016, 10:43:17 AM by Xiaoyan |
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1 Replies
6329 Views |
August 23, 2016, 03:03:00 AM by JakubV |
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Abnormal termination of egrad
Started by jakob |
1 Replies
3930 Views |
August 09, 2016, 08:51:54 PM by uwe |
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TDDFT excited state optimization fails
Started by basklau |
2 Replies
9332 Views |
July 26, 2016, 05:48:20 PM by JakubV |
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