Subject / Started by  |
Replies / Views | Last post | ||
|---|---|---|---|---|
|
|
quadrupole moments
Started by a.karl |
1 Replies
4683 Views |
March 04, 2008, 10:32:28 amby christof.haettig |
|
|
|
Mulliken spin densities
Started by acapobia |
2 Replies
2905 Views |
February 11, 2014, 10:32:32 am by acapobia |
|
|
|
1 Replies
2542 Views |
October 24, 2012, 07:43:55 pm by acapobia |
|
|
|
|
4 Replies
6428 Views |
February 12, 2009, 12:11:43 am by acapobia |
|
|
|
|
egrad does not write ed.plt
Started by antti_karttunen |
2 Replies
4163 Views |
June 26, 2008, 11:23:30 am by antti_karttunen |
|
|
|
Cube format and ECPs
Started by antti_karttunen |
2 Replies
4248 Views |
March 06, 2008, 11:40:17 am by antti_karttunen |
|
|
|
how to calculate the spin natural orbital
Started by ardie |
0 Replies
2418 Views |
November 13, 2012, 01:35:05 pm by ardie |
|
|
|
differential density
Started by arek1arek |
1 Replies
4651 Views |
March 27, 2008, 08:10:36 pm by arek1arek |
|
|
|
option -proper
Started by arek1arek |
3 Replies
5249 Views |
March 14, 2008, 05:30:48 pm by uwe |
|
|
|
plotting density of open shell
Started by cavallo |
4 Replies
5769 Views |
February 15, 2013, 02:51:29 pm by resofidentity |
|
|
|
3 Replies
7483 Views |
October 14, 2015, 10:47:38 am by CharlesG |
|
|
|
|
1 Replies
3315 Views |
January 20, 2011, 02:33:01 pm by christof.haettig |
|
|
|
|
atomic electron density
Started by dinos |
1 Replies
3823 Views |
May 10, 2007, 11:08:55 pm by turbomaster |
|
|
|
Generating .plt file
Started by dps17 |
2 Replies
4167 Views |
April 17, 2007, 11:04:54 pm by dps17 |
|
|
|
1 Replies
3633 Views |
May 29, 2012, 12:43:05 pm by e.berardo |
|
|
|
|
0 Replies
2691 Views |
March 31, 2010, 04:51:54 pm by evgeniy |
|
|
|
|
0 Replies
2373 Views |
March 31, 2010, 11:36:27 am by evgeniy |
|
|
|
|
1 Replies
1008 Views |
November 17, 2016, 05:21:19 pm by christof.haettig |
|
|
|
|
Visualization
Started by Gopakumar |
2 Replies
5360 Views |
January 22, 2007, 02:17:44 pm by antti_karttunen |
|
|
|
Atomic Orbital Contributions to MO
Started by Gopakumar |
2 Replies
4571 Views |
May 13, 2007, 02:37:27 pm by christof.haettig |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic