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converging Rydberg states in DFT
Started by vormar |
2 Replies
8738 Views |
September 20, 2012, 09:36:09 PMby vormar |
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gradient accuracy - general question
Started by asaf |
2 Replies
7145 Views |
January 20, 2011, 02:38:08 PM by christof.haettig |
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problem in ridft
Started by surajit |
2 Replies
6749 Views |
November 20, 2014, 12:27:49 PM by surajit |
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SCF Iterations in TURBOMOLE 7.2
Started by saleheen_noman |
2 Replies
5656 Views |
May 04, 2018, 06:56:01 PM by saleheen_noman |
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Parallel rdgrad with point charges
Started by hmsenn |
2 Replies
6805 Views |
March 02, 2015, 05:52:53 PM by mpjohans |
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Pointcharges problem
Started by basklau |
2 Replies
6593 Views |
March 05, 2012, 04:15:59 PM by basklau |
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2 Replies
4433 Views |
February 07, 2022, 03:22:11 PM by ChrisS |
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2 Replies
4419 Views |
March 08, 2022, 05:40:47 AM by prasanta13 |
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2 Replies
3200 Views |
July 01, 2020, 08:18:01 PM by farmaceut |
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2 Replies
6884 Views |
September 22, 2016, 12:51:08 PM by marand |
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2 Replies
5962 Views |
October 07, 2016, 01:51:31 PM by christof.haettig |
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problem in ridft
Started by jitmukherjeechem |
2 Replies
8336 Views |
May 29, 2012, 11:38:00 PM by jitmukherjeechem |
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2 Replies
7084 Views |
April 13, 2011, 08:04:14 AM by antti_karttunen |
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Segmentation Faults Using COSMO
Started by Dempsey |
2 Replies
4430 Views |
February 18, 2022, 05:02:00 PM by Dempsey |
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Executing Turbomole from chemshell
Started by yasser-qm |
2 Replies
6136 Views |
December 22, 2016, 09:32:47 AM by yasser-qm |
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ERROR in dscf step
Started by Mik |
2 Replies
7068 Views |
October 14, 2011, 06:24:28 PM by Mik |
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can dos calculations run on parallel
Started by golden |
2 Replies
6551 Views |
February 29, 2012, 12:47:42 AM by golden |
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large RIDFT calculations
Started by sfomine |
2 Replies
7813 Views |
October 04, 2012, 11:04:41 PM by sfomine |
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error in dscf with ghost atom (with basis)
Started by marand |
2 Replies
7344 Views |
November 08, 2012, 09:38:25 AM by marand |
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Single Point calculation not converging
Started by krishnad |
2 Replies
7914 Views |
November 19, 2012, 06:05:59 AM by krishnad |
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