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Unrestricted DFT in H2 Dissociation
Started by Wook |
4 Replies
63778 Views |
March 27, 2017, 02:52:24 AMby Wook |
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RI-UHF error without error message
Started by JakubV |
1 Replies
44276 Views |
November 12, 2017, 09:57:12 PM by uwe |
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3 Replies
60058 Views |
December 13, 2017, 11:07:36 AM by uwe |
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SCF Iterations in TURBOMOLE 7.2
Started by saleheen_noman |
2 Replies
49992 Views |
May 04, 2018, 06:56:01 PM by saleheen_noman |
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Cu2+ Ion Energy
Started by jenniferbjorklund |
1 Replies
44427 Views |
June 09, 2018, 10:06:26 PM by antti_karttunen |
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prinitng fock, density and overlap matrices
Started by KrisR |
1 Replies
43271 Views |
June 30, 2019, 08:34:23 PM by uwe |
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1 Replies
47998 Views |
July 10, 2019, 08:45:11 PM by uwe |
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$firstorder in TM 5.10
Started by l.goerigk |
1 Replies
74172 Views |
July 11, 2019, 02:14:26 PM by cneiss |
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LibXC index numbers
Started by martijn |
1 Replies
48163 Views |
October 25, 2019, 06:18:59 PM by uwe |
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<rdiag> error message in dscf
Started by Thomas_Hofer |
2 Replies
56522 Views |
November 04, 2019, 10:58:38 AM by abhijit |
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ridft+dsp problem with Curium/HOH
Started by corey.taylor |
4 Replies
62393 Views |
November 26, 2019, 11:21:07 AM by corey.taylor |
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Triplet scf converges to singlet
Started by akn123 |
1 Replies
44136 Views |
March 26, 2020, 08:28:19 AM by antti_karttunen |
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2 Replies
75226 Views |
July 01, 2020, 08:18:01 PM by farmaceut |
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RIDFT problem
Started by golden |
3 Replies
55282 Views |
August 17, 2020, 07:13:44 PM by golden |
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point charge changed problem
Started by chenjinfeng |
1 Replies
52710 Views |
April 01, 2021, 03:08:47 PM by uwe |
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point charges in a HF-3c calculation
Started by makochman1 |
0 Replies
65428 Views |
July 27, 2021, 04:46:42 PM by makochman1 |
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HF problems with diffuse basis set
Started by mpjohans |
3 Replies
59321 Views |
July 30, 2021, 11:47:32 AM by prasanta13 |
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Energy decomposition analysis (EDA)
Started by sareeya |
1 Replies
76046 Views |
July 31, 2021, 05:26:27 PM by prasanta13 |
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0 Replies
40546 Views |
October 01, 2021, 01:06:36 AM by skundu07 |
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0 Replies
40463 Views |
December 15, 2021, 12:19:56 AM by dsahsah |
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