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$firstorder in TM 5.10
Started by l.goerigk |
1 Replies
69576 Views |
July 11, 2019, 02:14:26 PMby cneiss |
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1 Replies
41861 Views |
July 10, 2019, 08:45:11 PM by uwe |
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prinitng fock, density and overlap matrices
Started by KrisR |
1 Replies
38527 Views |
June 30, 2019, 08:34:23 PM by uwe |
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Cu2+ Ion Energy
Started by jenniferbjorklund |
1 Replies
39229 Views |
June 09, 2018, 10:06:26 PM by antti_karttunen |
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SCF Iterations in TURBOMOLE 7.2
Started by saleheen_noman |
2 Replies
43282 Views |
May 04, 2018, 06:56:01 PM by saleheen_noman |
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3 Replies
52312 Views |
December 13, 2017, 11:07:36 AM by uwe |
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RI-UHF error without error message
Started by JakubV |
1 Replies
38063 Views |
November 12, 2017, 09:57:12 PM by uwe |
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Unrestricted DFT in H2 Dissociation
Started by Wook |
4 Replies
57342 Views |
March 27, 2017, 02:52:24 AM by Wook |
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Executing Turbomole from chemshell
Started by yasser-qm |
2 Replies
79743 Views |
December 22, 2016, 09:32:47 AM by yasser-qm |
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PEECM calculation in TURBOMOLE 7.0
Started by saleheen_noman |
5 Replies
68741 Views |
October 30, 2016, 07:56:38 PM by saleheen_noman |
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2 Replies
73300 Views |
October 07, 2016, 01:51:31 PM by christof.haettig |
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2 Replies
67062 Views |
September 22, 2016, 12:51:08 PM by marand |
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error of main call to DSYEVD
Started by yuniawan |
1 Replies
53712 Views |
May 10, 2016, 12:10:50 PM by uwe |
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2 Replies
41098 Views |
April 05, 2016, 06:09:34 PM by evgeniy |
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1 Replies
36552 Views |
November 10, 2015, 10:54:13 AM by uwe |
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1 Replies
36929 Views |
October 01, 2015, 11:13:13 AM by christof.haettig |
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Error when using ghost atoms
Started by macrauha |
1 Replies
38036 Views |
September 15, 2015, 04:06:02 PM by Arnim |
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1 Replies
51092 Views |
August 25, 2015, 10:49:31 AM by uwe |
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PEECM-RIDFT Ended Abnormally
Started by naustin1 |
1 Replies
36792 Views |
June 18, 2015, 12:12:56 PM by Arnim |
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Parallel rdgrad with point charges
Started by hmsenn |
2 Replies
38247 Views |
March 02, 2015, 05:52:53 PM by mpjohans |
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