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PEEC Manual Example
Started by foea |
0 Replies
28472 Views |
January 25, 2012, 10:22:32 AMby foea |
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0 Replies
35224 Views |
March 19, 2010, 05:44:08 AM by ylniu |
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0 Replies
59253 Views |
March 30, 2010, 10:04:59 AM by FKoehler |
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total density
Started by muyajt |
0 Replies
52881 Views |
April 14, 2010, 05:04:34 PM by muyajt |
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Continue with optimization
Started by fgn1986 |
0 Replies
28753 Views |
May 24, 2012, 02:49:22 PM by fgn1986 |
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odft output
Started by pazzik |
0 Replies
33108 Views |
October 07, 2014, 04:49:19 PM by pazzik |
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Starting guess for Os atom
Started by ghill |
0 Replies
46660 Views |
January 06, 2011, 11:01:29 AM by ghill |
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0 Replies
28209 Views |
November 22, 2013, 07:51:50 PM by evgeniy |
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reference in define of B97-D
Started by Stefan |
0 Replies
46851 Views |
April 04, 2011, 04:46:57 AM by Stefan |
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problem in running optimization
Started by jitmukherjeechem |
0 Replies
28595 Views |
May 14, 2012, 05:59:28 PM by jitmukherjeechem |
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functional equivalent for Xonly and Xalpha
Started by golden |
0 Replies
29567 Views |
February 14, 2013, 05:43:47 AM by golden |
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Use of fully separable ECP
Started by MarcMB |
0 Replies
34182 Views |
May 18, 2011, 09:02:16 AM by MarcMB |
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negative homo-lumo gap
Started by bnikoobakht |
0 Replies
27864 Views |
January 08, 2013, 03:07:19 PM by bnikoobakht |
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0 Replies
27741 Views |
December 06, 2012, 12:15:37 PM by vormar |
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Two-component calculations
Started by tayed |
0 Replies
34606 Views |
November 28, 2011, 10:46:00 AM by tayed |
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0 Replies
33999 Views |
December 08, 2011, 12:39:52 PM by tayed |
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0 Replies
33064 Views |
December 09, 2011, 02:40:12 PM by QuantumDude |
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Heavy DFT calculations
Started by evgeniy |
0 Replies
29737 Views |
January 16, 2012, 03:20:30 PM by evgeniy |
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DSCF $incore integer overflow
Started by f.uhlig |
0 Replies
58345 Views |
December 17, 2010, 06:02:22 PM by f.uhlig |
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0 Replies
49351 Views |
June 16, 2023, 04:30:39 PM by rusakov |
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