| Subject / Started by | Replies / Views  |
Last post | ||
|---|---|---|---|---|
|
|
two-electron integrals
Started by Dawood234 |
0 Replies
336 Views |
May 10, 2024, 06:29:50 PMby Dawood234 |
|
|
|
Density plots from DSCF
Started by cwoods7 |
3 Replies
2646 Views |
March 13, 2024, 10:02:35 PM by uwe |
|
|
|
point charge changed problem
Started by chenjinfeng |
1 Replies
2825 Views |
April 01, 2021, 03:08:47 PM by uwe |
|
|
|
point charges in a HF-3c calculation
Started by makochman1 |
0 Replies
2918 Views |
July 27, 2021, 04:46:42 PM by makochman1 |
|
|
|
Triplet scf converges to singlet
Started by akn123 |
1 Replies
3058 Views |
March 26, 2020, 08:28:19 AM by antti_karttunen |
|
|
|
DSCF No Exchange Energy
Started by cwoods7 |
3 Replies
3105 Views |
February 17, 2024, 10:35:04 AM by chris.hol |
|
|
|
2 Replies
3270 Views |
July 01, 2020, 08:18:01 PM by farmaceut |
|
|
|
|
0 Replies
3468 Views |
June 16, 2023, 04:30:39 PM by rusakov |
|
|
|
|
1 Replies
3569 Views |
July 10, 2023, 07:22:01 PM by uwe |
|
|
|
|
3 Replies
3616 Views |
May 13, 2024, 04:43:58 PM by yannickf |
|
|
|
|
2 Replies
3631 Views |
September 27, 2023, 12:41:52 AM by jcardol |
|
|
|
|
prinitng fock, density and overlap matrices
Started by KrisR |
1 Replies
3642 Views |
June 30, 2019, 08:34:23 PM by uwe |
|
|
|
1 Replies
3668 Views |
December 23, 2023, 11:36:15 AM by yannickf |
|
|
|
|
Problem with mpsts-noa2 in aoforce
Started by JakubV |
2 Replies
3850 Views |
February 18, 2023, 02:10:36 AM by JakubV |
|
|
|
1 Replies
3886 Views |
July 10, 2019, 08:45:11 PM by uwe |
|
|
|
|
RIDFT problem
Started by golden |
3 Replies
4114 Views |
August 17, 2020, 07:13:44 PM by golden |
|
|
|
0 Replies
4239 Views |
December 15, 2021, 12:19:56 AM by dsahsah |
|
|
|
|
DFT-D4 energy for charged systems
Started by cneiss |
3 Replies
4251 Views |
March 02, 2022, 10:45:32 AM by uwe |
|
|
|
D4 - Edisp /kcal,au: NaN NaN
Started by martijn |
3 Replies
4326 Views |
May 02, 2022, 08:58:50 PM by uwe |
|
|
|
2 Replies
4457 Views |
March 08, 2022, 05:40:47 AM by prasanta13 |
|
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic