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SCF Iterations in TURBOMOLE 7.2
Started by saleheen_noman |
2 Replies
5625 Views |
May 04, 2018, 06:56:01 PMby saleheen_noman |
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0 Replies
5640 Views |
December 26, 2010, 11:55:06 AM by asaf |
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0 Replies
5665 Views |
December 06, 2012, 12:15:37 PM by vormar |
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Starting guess for Os atom
Started by ghill |
0 Replies
5709 Views |
January 06, 2011, 11:01:29 AM by ghill |
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0 Replies
5717 Views |
December 09, 2011, 02:40:12 PM by QuantumDude |
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functional equivalent for Xonly and Xalpha
Started by golden |
0 Replies
5818 Views |
February 14, 2013, 05:43:47 AM by golden |
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1 Replies
5830 Views |
August 25, 2015, 10:49:31 AM by uwe |
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2 Replies
5930 Views |
October 07, 2016, 01:51:31 PM by christof.haettig |
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1 Replies
5935 Views |
October 14, 2011, 10:08:23 AM by andreas |
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PEEC Manual Example
Started by foea |
0 Replies
6026 Views |
January 25, 2012, 10:22:32 AM by foea |
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DSCF $incore integer overflow
Started by f.uhlig |
0 Replies
6042 Views |
December 17, 2010, 06:02:22 PM by f.uhlig |
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1 Replies
6044 Views |
May 05, 2014, 08:20:32 PM by mpjohans |
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Error when using ghost atoms
Started by macrauha |
1 Replies
6079 Views |
September 15, 2015, 04:06:02 PM by Arnim |
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1 Replies
6080 Views |
May 24, 2012, 01:35:42 PM by Arnim |
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Executing Turbomole from chemshell
Started by yasser-qm |
2 Replies
6106 Views |
December 22, 2016, 09:32:47 AM by yasser-qm |
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dscf in parallel
Started by golden |
1 Replies
6191 Views |
September 06, 2012, 04:47:15 PM by golden |
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reference in define of B97-D
Started by Stefan |
0 Replies
6252 Views |
April 04, 2011, 04:46:57 AM by Stefan |
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1 Replies
6294 Views |
November 10, 2015, 10:54:13 AM by uwe |
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2 Replies
6303 Views |
May 09, 2011, 01:31:37 PM by yasmeen |
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Printing out two electron integrals
Started by MarcMB |
1 Replies
6354 Views |
August 11, 2011, 06:13:17 PM by christof.haettig |
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