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1 Replies
6152 Views |
May 24, 2012, 01:35:42 PMby Arnim |
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Continue with optimization
Started by fgn1986 |
0 Replies
5326 Views |
May 24, 2012, 02:49:22 PM by fgn1986 |
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problem in ridft
Started by jitmukherjeechem |
2 Replies
8255 Views |
May 29, 2012, 11:38:00 PM by jitmukherjeechem |
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dscf in parallel
Started by golden |
1 Replies
6263 Views |
September 06, 2012, 04:47:15 PM by golden |
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ridft probelm of 'actual -r'
Started by fantastic2012 |
4 Replies
12584 Views |
September 06, 2012, 04:55:33 PM by golden |
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converging Rydberg states in DFT
Started by vormar |
2 Replies
8657 Views |
September 20, 2012, 09:36:09 PM by vormar |
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large RIDFT calculations
Started by sfomine |
2 Replies
7734 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
7261 Views |
November 08, 2012, 09:38:25 AM by marand |
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Single Point calculation not converging
Started by krishnad |
2 Replies
7832 Views |
November 19, 2012, 06:05:59 AM by krishnad |
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0 Replies
5740 Views |
December 06, 2012, 12:15:37 PM by vormar |
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negative homo-lumo gap
Started by bnikoobakht |
0 Replies
6521 Views |
January 08, 2013, 03:07:19 PM by bnikoobakht |
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1 Replies
8757 Views |
January 16, 2013, 07:20:32 PM by amavr78 |
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functional equivalent for Xonly and Xalpha
Started by golden |
0 Replies
5890 Views |
February 14, 2013, 05:43:47 AM by golden |
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4 Replies
10059 Views |
February 18, 2013, 04:15:10 PM by uwe |
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1 Replies
6957 Views |
March 15, 2013, 05:44:04 PM by Turboooo |
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Problem with BSSE calculation at DFT level
Started by dzd |
4 Replies
9005 Views |
April 17, 2013, 09:00:25 AM by uwe |
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1 Replies
7615 Views |
April 17, 2013, 01:49:54 PM by antti_karttunen |
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scratch directory in ridft
Started by Bob79 |
6 Replies
9675 Views |
August 22, 2013, 02:17:06 PM by uwe |
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spin-orbit problem
Started by sazabi |
4 Replies
8281 Views |
August 28, 2013, 04:33:26 PM by Hauke |
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1e Integrals
Started by barbatti |
1 Replies
6374 Views |
September 07, 2013, 06:50:27 PM by uwe |
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