Subject  / Started by |
Replies / Views | Last post | ||
|---|---|---|---|---|
|
|
[HowTo] Generate NTOs from TDDFT
Started by finrod |
6 Replies
7265 Views |
December 25, 2023, 09:51:28 PMby shafikoff |
|
|
|
x2t convergence factor
Started by klickklack |
1 Replies
8146 Views |
February 25, 2009, 03:17:22 PM by uwe |
|
|
|
1 Replies
4329 Views |
August 26, 2021, 10:07:16 AM by Arnim |
|
|
|
|
What does the output of freeH mean?
Started by Dempsey |
2 Replies
4282 Views |
March 07, 2022, 11:03:26 AM by Dempsey |
|
|
|
WFN for two-component wave function
Started by mamaouch |
0 Replies
5501 Views |
August 24, 2015, 12:36:09 PM by mamaouch |
|
|
|
wavefunction analysis : CDA etc.
Started by wwwups |
0 Replies
6073 Views |
June 06, 2008, 01:48:49 AM by wwwups |
|
|
|
WARNING: HOMO-LUMO Gap is negativ
Started by tanguyv |
3 Replies
19997 Views |
June 16, 2009, 10:35:50 AM by tanguyv |
|
|
|
1 Replies
7469 Views |
August 12, 2011, 09:43:25 AM by christof.haettig |
|
|
|
|
Visualization
Started by Gopakumar |
2 Replies
10100 Views |
January 22, 2007, 02:17:44 PM by antti_karttunen |
|
|
|
TURBOMOLE and Cube format
Started by I.Swart |
2 Replies
9485 Views |
October 18, 2007, 09:04:27 AM by I.Swart |
|
|
|
0 Replies
3647 Views |
September 15, 2022, 10:38:37 AM by t-iwasa |
|
|
|
|
1 Replies
8760 Views |
April 15, 2008, 04:44:05 PM by christof.haettig |
|
|
|
|
TDDFT-Transition densities
Started by Pandiselvi |
1 Replies
3882 Views |
September 15, 2022, 10:35:28 AM by t-iwasa |
|
|
|
6 Replies
4244 Views |
July 11, 2022, 01:11:21 PM by prasanta13 |
|
|
|
|
Set multiplicity on Turbomole
Started by Glxblt76 |
1 Replies
6223 Views |
April 23, 2019, 11:25:58 AM by Arnim |
|
|
|
0 Replies
7001 Views |
July 14, 2011, 02:51:03 PM by greisen |
|
|
|
|
1 Replies
6149 Views |
January 20, 2011, 02:33:01 PM by christof.haettig |
|
|
|
|
readable RIMP2 spin density
Started by tom77 |
1 Replies
6439 Views |
September 26, 2007, 04:49:44 PM by antti_karttunen |
|
|
|
Radius of Hydrogen used in $esp_fit kollman
Started by Hauke |
0 Replies
5611 Views |
December 14, 2012, 01:07:13 AM by Hauke |
|
|
|
questions on t2x
Started by zhangustc |
5 Replies
10643 Views |
July 02, 2008, 10:54:54 AM by martijn |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic