Subject / Started by  |
Replies / Views | Last post | ||
|---|---|---|---|---|
|
|
internal reaction coordinate
Started by jbaltrus |
0 Replies
4726 Views |
June 27, 2010, 01:01:52 AMby jbaltrus |
|
|
|
0 Replies
6109 Views |
March 09, 2018, 06:54:33 PM by jfurness |
|
|
|
|
mos file: AO basis function order and norm?
Started by Jonas |
4 Replies
11794 Views |
December 10, 2015, 04:02:45 PM by uwe |
|
|
|
0 Replies
5378 Views |
July 13, 2010, 06:35:05 PM by Jonas |
|
|
|
|
BSSE calculations
Started by juanjo |
3 Replies
8170 Views |
September 20, 2012, 03:46:10 PM by uwe |
|
|
|
frozen coordinates
Started by juanjo |
8 Replies
19953 Views |
March 25, 2008, 12:51:37 PM by juanjo |
|
|
|
Force constants calculation
Started by juanjo |
1 Replies
6897 Views |
May 19, 2008, 09:56:55 AM by uwe |
|
|
|
Global Minimum
Started by kiranb |
0 Replies
3600 Views |
February 23, 2018, 11:16:51 PM by kiranb |
|
|
|
0 Replies
2309 Views |
June 13, 2023, 08:06:03 AM by Kritika22 |
|
|
|
|
3 Replies
2515 Views |
May 01, 2023, 07:39:51 PM by uwe |
|
|
|
|
Ecp for Cu atom
Started by lsikk |
1 Replies
9789 Views |
March 22, 2007, 09:13:03 PM by antti_karttunen |
|
|
|
Basis set modification after 'blowup'
Started by luyj |
1 Replies
4262 Views |
September 30, 2015, 10:37:33 AM by christof.haettig |
|
|
|
Some question about basis set
Started by manyu |
2 Replies
14461 Views |
April 23, 2007, 05:54:34 PM by uwe |
|
|
|
Really deep SCF energies DFT (with dscf)
Started by marilu98 |
6 Replies
2961 Views |
November 29, 2023, 06:23:41 PM by uwe |
|
|
|
Parallelization of jobbsse
Started by mario8eren |
1 Replies
4340 Views |
September 30, 2015, 10:31:31 AM by christof.haettig |
|
|
|
diffuse function for def2- basis set
Started by Marisa |
3 Replies
10209 Views |
January 11, 2009, 01:01:18 PM by christof.haettig |
|
|
|
Basis set or method for Fe complex
Started by methane |
1 Replies
7725 Views |
March 14, 2007, 07:44:13 AM by antti_karttunen |
|
|
|
Maximum number of atoms
Started by mike |
2 Replies
7873 Views |
March 09, 2018, 11:07:42 AM by uwe |
|
|
|
1 Replies
5954 Views |
September 05, 2008, 03:15:44 PM by uwe |
|
|
|
|
Problem with AOMix
Started by mwoch |
7 Replies
8801 Views |
July 08, 2016, 11:24:08 AM by riteshruhela |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic