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gradient evaluation error
Started by wasif |
0 Replies
5068 Views |
June 01, 2018, 05:12:29 AMby wasif |
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cdspectrum file content
Started by martijn |
1 Replies
4940 Views |
March 03, 2022, 11:52:06 AM by Arnim |
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Subsequent Escf runs - How to?
Started by marcen |
0 Replies
4853 Views |
March 14, 2018, 10:56:15 AM by marcen |
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How to switch off the XC kernel?
Started by JohnZhou_case |
0 Replies
4844 Views |
April 18, 2022, 09:10:23 PM by JohnZhou_case |
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Escf for 2c- (spin-orbit) SCF/DFT
Started by JakubV |
3 Replies
4697 Views |
February 15, 2023, 11:56:32 AM by chris.hol |
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0 Replies
4616 Views |
April 02, 2019, 10:46:52 AM by rvaliev |
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Egrad with TPSSH-functional
Started by fkreu |
1 Replies
4580 Views |
July 14, 2020, 05:44:52 PM by Arnim |
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-2c cbas auxiliary basis-sets
Started by martijn |
1 Replies
4540 Views |
December 23, 2023, 11:44:04 AM by yannickf |
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Modification of revM11
Started by marand |
2 Replies
4391 Views |
July 12, 2023, 09:29:10 AM by marand |
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Permanent dipole moment excited states
Started by dpleft |
2 Replies
4376 Views |
June 27, 2023, 06:49:43 PM by dpleft |
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Error during GW calculation with symmetry
Started by fbHRO |
0 Replies
4179 Views |
September 25, 2023, 03:31:00 PM by fbHRO |
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TDDFT with B97-3c
Started by luyj |
0 Replies
3843 Views |
June 12, 2020, 06:22:55 PM by luyj |
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1 Replies
2698 Views |
April 05, 2024, 03:42:52 PM by yannickf |
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