| Subject / Started by | Replies / Views | Last post  |
||
|---|---|---|---|---|
|
|
0 Replies
285 Views |
September 15, 2022, 10:38:37 AMby t-iwasa |
|
|
|
|
TDDFT-Transition densities
Started by Pandiselvi |
1 Replies
507 Views |
September 15, 2022, 10:35:28 AM by t-iwasa |
|
|
|
6 Replies
568 Views |
July 11, 2022, 01:11:21 PM by prasanta13 |
|
|
|
|
plt tool mislabelling atoms with ECPs
Started by Dempsey |
1 Replies
462 Views |
May 14, 2022, 10:18:52 PM by uwe |
|
|
|
6 Replies
1315 Views |
March 10, 2022, 01:16:19 PM by prasanta13 |
|
|
|
|
What does the output of freeH mean?
Started by Dempsey |
2 Replies
707 Views |
March 07, 2022, 11:03:26 AM by Dempsey |
|
|
|
QTAIM for periodic calculations
Started by max_sam |
0 Replies
696 Views |
December 02, 2021, 04:59:06 PM by max_sam |
|
|
|
1 Replies
1019 Views |
August 26, 2021, 10:07:16 AM by Arnim |
|
|
|
|
3 Replies
1536 Views |
May 26, 2021, 05:03:58 PM by uwe |
|
|
|
|
intrinsic-atomic dipole moment
Started by Mohammad |
0 Replies
1350 Views |
December 05, 2020, 09:04:32 PM by Mohammad |
|
|
|
3 Replies
1564 Views |
October 22, 2020, 05:47:13 PM by jfurness |
|
|
|
|
Different results between t2x and t2x -c
Started by rkloditz |
2 Replies
1441 Views |
October 09, 2020, 11:05:06 AM by rkloditz |
|
|
|
[HowTo] Generate NTOs from TDDFT
Started by finrod |
0 Replies
2486 Views |
March 17, 2020, 11:08:54 AM by finrod |
|
|
|
How to generat file47 for gennbo (NBO7)
Started by KrisR |
4 Replies
5951 Views |
July 18, 2019, 02:56:45 PM by KrisR |
|
|
|
Cube file export: erroneous shift?
Started by sheidrich |
2 Replies
4654 Views |
May 23, 2019, 05:21:46 PM by sheidrich |
|
|
|
hyperpolarizability
Started by jtravers |
1 Replies
2855 Views |
April 23, 2019, 11:27:48 AM by Arnim |
|
|
|
Set multiplicity on Turbomole
Started by Glxblt76 |
1 Replies
2801 Views |
April 23, 2019, 11:25:58 AM by Arnim |
|
|
|
Electrostatic potential
Started by djelenfi |
2 Replies
3185 Views |
March 28, 2019, 04:56:42 PM by djelenfi |
|
|
|
EDD visualization
Started by valienpo |
4 Replies
3559 Views |
February 28, 2019, 02:36:47 PM by valienpo |
|
|
|
Hirshfeld charges
Started by Andreas Heyden |
1 Replies
2716 Views |
February 27, 2019, 08:21:44 PM by uwe |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic