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reference in define of B97-D
Started by Stefan |
0 Replies
6443 Views |
April 04, 2011, 04:46:57 AMby Stefan |
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0 Replies
4223 Views |
December 15, 2021, 12:19:56 AM by dsahsah |
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0 Replies
5859 Views |
December 06, 2012, 12:15:37 PM by vormar |
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problem in running optimization
Started by jitmukherjeechem |
0 Replies
5638 Views |
May 14, 2012, 05:59:28 PM by jitmukherjeechem |
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PEEC Manual Example
Started by foea |
0 Replies
6210 Views |
January 25, 2012, 10:22:32 AM by foea |
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point charges in a HF-3c calculation
Started by makochman1 |
0 Replies
2898 Views |
July 27, 2021, 04:46:42 PM by makochman1 |
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0 Replies
6617 Views |
March 19, 2010, 05:44:08 AM by ylniu |
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total density
Started by muyajt |
0 Replies
7021 Views |
April 14, 2010, 05:04:34 PM by muyajt |
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Heavy DFT calculations
Started by evgeniy |
0 Replies
5348 Views |
January 16, 2012, 03:20:30 PM by evgeniy |
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Starting guess for Os atom
Started by ghill |
0 Replies
5891 Views |
January 06, 2011, 11:01:29 AM by ghill |
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0 Replies
5906 Views |
December 09, 2011, 02:40:12 PM by QuantumDude |
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0 Replies
5508 Views |
December 08, 2011, 12:39:52 PM by tayed |
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Two-component calculations
Started by tayed |
0 Replies
5483 Views |
November 28, 2011, 10:46:00 AM by tayed |
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two-electron integrals
Started by Dawood234 |
0 Replies
323 Views |
May 10, 2024, 06:29:50 PM by Dawood234 |
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DSCF $incore integer overflow
Started by f.uhlig |
0 Replies
6228 Views |
December 17, 2010, 06:02:22 PM by f.uhlig |
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0 Replies
5822 Views |
December 26, 2010, 11:55:06 AM by asaf |
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Use of fully separable ECP
Started by MarcMB |
0 Replies
5738 Views |
May 18, 2011, 09:02:16 AM by MarcMB |
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Continue with optimization
Started by fgn1986 |
0 Replies
5442 Views |
May 24, 2012, 02:49:22 PM by fgn1986 |
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0 Replies
8311 Views |
March 30, 2010, 10:04:59 AM by FKoehler |
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MOVED: Problem with Mpgrad
Started by christof.haettig |
0 Replies
10526 Views |
February 13, 2007, 03:35:12 PM by christof.haettig |
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