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1 Replies
8369 Views |
May 25, 2021, 11:55:15 AMby chris.hol |
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TDDFT Transition Dipole Reference
Started by robagl9695 |
2 Replies
8772 Views |
June 03, 2021, 10:28:34 PM by robagl9695 |
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4 Replies
9539 Views |
September 23, 2021, 11:10:58 PM by martijn |
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cdspectrum file content
Started by martijn |
1 Replies
7981 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
7943 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
8412 Views |
February 15, 2023, 11:56:32 AM by chris.hol |
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Egrad
Started by Pandiselvi |
2 Replies
9360 Views |
March 24, 2023, 04:54:41 PM by Pingping |
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Permanent dipole moment excited states
Started by dpleft |
2 Replies
8165 Views |
June 27, 2023, 06:49:43 PM by dpleft |
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Modification of revM11
Started by marand |
2 Replies
8111 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
7618 Views |
September 25, 2023, 03:31:00 PM by fbHRO |
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-2c cbas auxiliary basis-sets
Started by martijn |
1 Replies
8248 Views |
December 23, 2023, 11:44:04 AM by yannickf |
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1 Replies
6578 Views |
April 05, 2024, 03:42:52 PM by yannickf |
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egrad density difference (ed.plt)
Started by Helph |
2 Replies
11708 Views |
April 15, 2024, 09:39:25 AM by Helph |
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NTO Generation of X2C Calculations
Started by hherbol |
0 Replies
1553 Views |
October 28, 2024, 09:19:21 PM by hherbol |
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SOC Constants
Started by hherbol |
0 Replies
2586 Views |
October 29, 2024, 03:32:58 PM by hherbol |
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