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Lineraly dependent basis set problem ?
Started by grog |
1 Replies
8294 Views |
April 29, 2008, 04:11:55 PMby uwe |
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1 Replies
6740 Views |
October 01, 2015, 11:13:13 AM by christof.haettig |
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1 Replies
8451 Views |
January 16, 2013, 07:20:32 PM by amavr78 |
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1 Replies
10720 Views |
November 04, 2009, 05:52:22 PM by uwe |
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two component DFT calcaulation
Started by lihb734 |
1 Replies
6962 Views |
August 02, 2009, 01:09:26 PM by mpjohans |
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dscf - problem with 6d basis set?
Started by kulhanek |
1 Replies
7061 Views |
August 21, 2009, 09:45:11 AM by uwe |
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$firstorder in TM 5.10
Started by l.goerigk |
1 Replies
7693 Views |
July 11, 2019, 02:14:26 PM by cneiss |
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1 Replies
7313 Views |
May 22, 2009, 10:30:59 AM by uwe |
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single point DFT covengercy problem
Started by gjgj |
1 Replies
7318 Views |
April 14, 2009, 01:31:30 PM by Arnim |
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1 Replies
6582 Views |
April 14, 2009, 01:41:03 PM by Arnim |
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1 Replies
6233 Views |
November 10, 2015, 10:54:13 AM by uwe |
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Help for Ex and Ec components seperately
Started by igor |
1 Replies
7750 Views |
September 22, 2008, 04:12:05 PM by uwe |
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Metal convergence problem
Started by sdTurb |
1 Replies
7320 Views |
November 02, 2010, 11:41:19 AM by uwe |
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Energy decomposition analysis (EDA)
Started by sareeya |
1 Replies
7264 Views |
July 31, 2021, 05:26:27 PM by prasanta13 |
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1 Replies
7307 Views |
April 17, 2013, 01:49:54 PM by antti_karttunen |
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fermi and triplet occupation
Started by moere |
1 Replies
6996 Views |
October 25, 2010, 01:10:46 PM by Arnim |
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PEECM-RIDFT Ended Abnormally
Started by naustin1 |
1 Replies
6783 Views |
June 18, 2015, 12:12:56 PM by Arnim |
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1 Replies
8182 Views |
May 06, 2008, 09:27:54 AM by cml |
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RI-UHF error without error message
Started by JakubV |
1 Replies
4838 Views |
November 12, 2017, 09:57:12 PM by uwe |
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!! WARNING: HOMO-LUMO Gap is negativ !!
Started by martijn |
1 Replies
8466 Views |
January 28, 2009, 05:19:54 PM by uwe |
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