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4 Replies
32830 Views |
September 23, 2021, 11:10:58 PMby martijn |
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cdspectrum file content
Started by martijn |
1 Replies
24225 Views |
March 03, 2022, 11:52:06 AM by Arnim |
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How to switch off the XC kernel?
Started by JohnZhou_case |
0 Replies
21862 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
29442 Views |
February 15, 2023, 11:56:32 AM by chris.hol |
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Egrad
Started by Pandiselvi |
2 Replies
28040 Views |
March 24, 2023, 04:54:41 PM by Pingping |
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Permanent dipole moment excited states
Started by dpleft |
2 Replies
27237 Views |
June 27, 2023, 06:49:43 PM by dpleft |
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Modification of revM11
Started by marand |
2 Replies
27403 Views |
July 12, 2023, 09:29:10 AM by marand |
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Error during GW calculation with symmetry
Started by fbHRO |
0 Replies
22819 Views |
September 25, 2023, 03:31:00 PM by fbHRO |
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-2c cbas auxiliary basis-sets
Started by martijn |
1 Replies
26865 Views |
December 23, 2023, 11:44:04 AM by yannickf |
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1 Replies
25479 Views |
April 05, 2024, 03:42:52 PM by yannickf |
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egrad density difference (ed.plt)
Started by Helph |
2 Replies
33495 Views |
April 15, 2024, 09:39:25 AM by Helph |
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NTO Generation of X2C Calculations
Started by hherbol |
0 Replies
18223 Views |
October 28, 2024, 09:19:21 PM by hherbol |
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1 Replies
18452 Views |
March 15, 2025, 05:53:32 PM by uwe |
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Keywords for CVS-BSE in Turbomole 7.9
Started by keweiz |
9 Replies
40332 Views |
May 07, 2025, 04:13:58 PM by chris.hol |
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SOC Constants
Started by hherbol |
4 Replies
29292 Views |
June 12, 2025, 04:43:56 PM by hherbol |
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Two-photon absorption and COSMO
Started by dpleft |
2 Replies
18010 Views |
July 25, 2025, 06:36:48 PM by dpleft |
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TDDFT Transition Dipole Reference
Started by robagl9695 |
3 Replies
32204 Views |
September 03, 2025, 04:55:53 PM by hherbol |
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transition dipole moment
Started by arek1arek |
4 Replies
33773 Views |
September 25, 2025, 06:46:56 AM by Hyunjong |
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