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1 Replies
6647 Views |
November 10, 2015, 10:54:13 AMby uwe |
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Questions on grid size in dft
Started by evgeniy |
5 Replies
10656 Views |
December 05, 2013, 10:10:55 AM by Arnim |
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1 Replies
9102 Views |
January 16, 2013, 07:20:32 PM by amavr78 |
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5 Replies
9288 Views |
January 15, 2010, 09:04:04 PM by uwe |
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1 Replies
11401 Views |
November 04, 2009, 05:52:22 PM by uwe |
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Problem with mpsts-noa2 in aoforce
Started by JakubV |
2 Replies
4080 Views |
February 18, 2023, 02:10:36 AM by JakubV |
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Problem with BSSE calculation at DFT level
Started by dzd |
4 Replies
9386 Views |
April 17, 2013, 09:00:25 AM by uwe |
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problem in running optimization
Started by jitmukherjeechem |
0 Replies
5866 Views |
May 14, 2012, 05:59:28 PM by jitmukherjeechem |
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problem in ridft
Started by surajit |
2 Replies
7081 Views |
November 20, 2014, 12:27:49 PM by surajit |
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problem in ridft
Started by jitmukherjeechem |
2 Replies
8605 Views |
May 29, 2012, 11:38:00 PM by jitmukherjeechem |
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Printing out two electron integrals
Started by MarcMB |
1 Replies
6779 Views |
August 11, 2011, 06:13:17 PM by christof.haettig |
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prinitng fock, density and overlap matrices
Started by KrisR |
1 Replies
3856 Views |
June 30, 2019, 08:34:23 PM by uwe |
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2 Replies
4714 Views |
February 07, 2022, 03:22:11 PM by ChrisS |
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Pointcharges problem
Started by basklau |
2 Replies
6859 Views |
March 05, 2012, 04:15:59 PM by basklau |
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point charges in a HF-3c calculation
Started by makochman1 |
0 Replies
3173 Views |
July 27, 2021, 04:46:42 PM by makochman1 |
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point charges and symmetry
Started by olehtone |
1 Replies
7970 Views |
May 19, 2010, 05:15:06 PM by uwe |
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point charge changed problem
Started by chenjinfeng |
1 Replies
3078 Views |
April 01, 2021, 03:08:47 PM by uwe |
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PEECM-RIDFT Ended Abnormally
Started by naustin1 |
1 Replies
7219 Views |
June 18, 2015, 12:12:56 PM by Arnim |
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0 Replies
4700 Views |
October 01, 2021, 01:06:36 AM by skundu07 |
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0 Replies
6061 Views |
December 26, 2010, 11:55:06 AM by asaf |
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