Subject / Started by  |
Replies / Views | Last post | ||
|---|---|---|---|---|
|
|
Ordering of g orbitals
Started by sergio |
0 Replies
6025 Views |
May 22, 2012, 03:04:14 PMby sergio |
|
|
|
external basis
Started by segalemb |
3 Replies
11714 Views |
May 09, 2012, 12:44:32 PM by uwe |
|
|
|
tm2molden, norm of d-functions
Started by sebastian |
1 Replies
5529 Views |
May 18, 2009, 02:02:40 PM by CoJack |
|
|
|
electric field
Started by sdTurb |
1 Replies
6629 Views |
September 11, 2008, 04:28:41 PM by uwe |
|
|
|
File Permissions
Started by scope |
0 Replies
4616 Views |
May 11, 2009, 11:21:46 AM by scope |
|
|
|
File Permissions
Started by scope |
0 Replies
4651 Views |
May 11, 2009, 11:24:04 AM by scope |
|
|
|
Turbomole to cif conversion ?
Started by scope |
0 Replies
6973 Views |
August 08, 2007, 06:54:32 PM by scope |
|
|
|
potential surface scan
Started by saikat403 |
2 Replies
6779 Views |
October 11, 2019, 09:39:34 PM by saikat403 |
|
|
|
0 Replies
5590 Views |
November 22, 2019, 08:26:05 AM by saikat403 |
|
|
|
|
How to use HAGA for optimization?
Started by Robin1991 |
0 Replies
72 Views |
May 13, 2024, 05:28:26 PM by Robin1991 |
|
|
|
Run BSSE with PBE-def2-QZVPPD
Started by prasanta13 |
5 Replies
4380 Views |
March 08, 2022, 05:25:04 AM by prasanta13 |
|
|
|
1 Replies
3822 Views |
March 10, 2022, 09:56:35 AM by uwe |
|
|
|
|
1 Replies
5746 Views |
October 07, 2016, 02:11:43 PM by christof.haettig |
|
|
|
|
0 Replies
6070 Views |
March 23, 2009, 01:10:04 PM by Pfister |
|
|
|
|
point charges and cosmo
Started by patrikrydberg |
1 Replies
5740 Views |
February 15, 2010, 11:02:02 AM by Arnim |
|
|
|
visualizing natural orbitals
Started by patrikrydberg |
3 Replies
11775 Views |
October 16, 2017, 11:54:48 AM by mansaribhu |
|
|
|
BSSE Problem with ECP's?
Started by pandaaka |
5 Replies
8532 Views |
May 10, 2010, 02:21:47 PM by uwe |
|
|
|
1 Replies
4401 Views |
October 01, 2015, 11:14:53 AM by christof.haettig |
|
|
|
|
Double-Hybrid Density Functionals (DHDF)
Started by ok |
0 Replies
5026 Views |
May 21, 2009, 01:15:30 PM by ok |
|
|
|
how to run JOBBSSE
Started by ok |
1 Replies
6128 Views |
June 15, 2009, 02:04:36 PM by christof.haettig |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic