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0 Replies
13226 Views |
March 27, 2026, 03:49:36 PMby Amin |
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Point Multipole Embedding for Gradients
Started by aaa16797 |
0 Replies
25168 Views |
January 13, 2026, 11:00:23 AM by aaa16797 |
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0 Replies
27721 Views |
December 06, 2012, 12:15:37 PM by vormar |
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negative homo-lumo gap
Started by bnikoobakht |
0 Replies
27852 Views |
January 08, 2013, 03:07:19 PM by bnikoobakht |
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Plish in gradient step?
Started by avsfan92 |
2 Replies
28131 Views |
February 05, 2026, 04:22:05 PM by avsfan92 |
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0 Replies
28190 Views |
November 22, 2013, 07:51:50 PM by evgeniy |
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PEEC Manual Example
Started by foea |
0 Replies
28451 Views |
January 25, 2012, 10:22:32 AM by foea |
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problem in running optimization
Started by jitmukherjeechem |
0 Replies
28572 Views |
May 14, 2012, 05:59:28 PM by jitmukherjeechem |
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Continue with optimization
Started by fgn1986 |
0 Replies
28729 Views |
May 24, 2012, 02:49:22 PM by fgn1986 |
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functional equivalent for Xonly and Xalpha
Started by golden |
0 Replies
29554 Views |
February 14, 2013, 05:43:47 AM by golden |
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Heavy DFT calculations
Started by evgeniy |
0 Replies
29725 Views |
January 16, 2012, 03:20:30 PM by evgeniy |
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1 Replies
30848 Views |
May 24, 2012, 01:35:42 PM by Arnim |
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dscf in parallel
Started by golden |
1 Replies
31510 Views |
September 06, 2012, 04:47:15 PM by golden |
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0 Replies
33048 Views |
December 09, 2011, 02:40:12 PM by QuantumDude |
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odft output
Started by pazzik |
0 Replies
33091 Views |
October 07, 2014, 04:49:19 PM by pazzik |
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1 Replies
33157 Views |
January 16, 2013, 07:20:32 PM by amavr78 |
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1 Replies
33623 Views |
April 17, 2013, 01:49:54 PM by antti_karttunen |
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1 Replies
33783 Views |
March 15, 2013, 05:44:04 PM by Turboooo |
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0 Replies
33974 Views |
December 08, 2011, 12:39:52 PM by tayed |
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Use of fully separable ECP
Started by MarcMB |
0 Replies
34154 Views |
May 18, 2011, 09:02:16 AM by MarcMB |
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