| Subject / Started by | Replies / Views | Last post  |
||
|---|---|---|---|---|
|
|
0 Replies
94 Views |
October 01, 2021, 01:06:36 AMby skundu07 |
|
|
|
|
Energy decomposition analysis (EDA)
Started by sareeya |
1 Replies
3367 Views |
July 31, 2021, 05:26:27 PM by prasanta13 |
|
|
|
HF problems with diffuse basis set
Started by mpjohans |
3 Replies
6546 Views |
July 30, 2021, 11:47:32 AM by prasanta13 |
|
|
|
point charges in a HF-3c calculation
Started by makochman1 |
0 Replies
143 Views |
July 27, 2021, 04:46:42 PM by makochman1 |
|
|
|
Localized Hartree-Fock / Localized DFT?
Started by JakubV |
1 Replies
385 Views |
April 18, 2021, 09:26:01 AM by chris.hol |
|
|
|
point charge changed problem
Started by chenjinfeng |
1 Replies
411 Views |
April 01, 2021, 03:08:47 PM by uwe |
|
|
|
RIDFT problem
Started by golden |
3 Replies
1353 Views |
August 17, 2020, 07:13:44 PM by golden |
|
|
|
2 Replies
1217 Views |
July 01, 2020, 08:18:01 PM by farmaceut |
|
|
|
|
Triplet scf converges to singlet
Started by akn123 |
1 Replies
1188 Views |
March 26, 2020, 08:28:19 AM by antti_karttunen |
|
|
|
ridft+dsp problem with Curium/HOH
Started by corey.taylor |
4 Replies
3293 Views |
November 26, 2019, 11:21:07 AM by corey.taylor |
|
|
|
<rdiag> error message in dscf
Started by Thomas_Hofer |
2 Replies
9450 Views |
November 04, 2019, 10:58:38 AM by abhijit |
|
|
|
LibXC index numbers
Started by martijn |
1 Replies
3324 Views |
October 25, 2019, 06:18:59 PM by uwe |
|
|
|
$firstorder in TM 5.10
Started by l.goerigk |
1 Replies
6139 Views |
July 11, 2019, 02:14:26 PM by cneiss |
|
|
|
1 Replies
2017 Views |
July 10, 2019, 08:45:11 PM by uwe |
|
|
|
|
prinitng fock, density and overlap matrices
Started by KrisR |
1 Replies
1851 Views |
June 30, 2019, 08:34:23 PM by uwe |
|
|
|
Cu2+ Ion Energy
Started by jenniferbjorklund |
1 Replies
3729 Views |
June 09, 2018, 10:06:26 PM by antti_karttunen |
|
|
|
SCF Iterations in TURBOMOLE 7.2
Started by saleheen_noman |
2 Replies
3851 Views |
May 04, 2018, 06:56:01 PM by saleheen_noman |
|
|
|
3 Replies
7330 Views |
December 13, 2017, 11:07:36 AM by uwe |
|
|
|
|
RI-UHF error without error message
Started by JakubV |
1 Replies
3287 Views |
November 12, 2017, 09:57:12 PM by uwe |
|
|
|
1 Replies
3784 Views |
October 04, 2017, 04:31:43 PM by romarine |
|
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic