| Subject / Started by | Replies / Views | Last post  |
||
|---|---|---|---|---|
|
|
Visualization
Started by Gopakumar |
2 Replies
9946 Views |
January 22, 2007, 02:17:44 PMby antti_karttunen |
|
|
|
Generating .plt file
Started by dps17 |
2 Replies
7841 Views |
April 17, 2007, 11:04:54 PM by dps17 |
|
|
|
atomic electron density
Started by dinos |
1 Replies
6996 Views |
May 10, 2007, 11:08:55 PM by turbomaster |
|
|
|
Atomic Orbital Contributions to MO
Started by Gopakumar |
2 Replies
8245 Views |
May 13, 2007, 02:37:27 PM by christof.haettig |
|
|
|
Dipolcalculations using moloch
Started by Stefan |
0 Replies
5619 Views |
September 25, 2007, 04:01:20 PM by Stefan |
|
|
|
readable RIMP2 spin density
Started by tom77 |
1 Replies
6317 Views |
September 26, 2007, 04:49:44 PM by antti_karttunen |
|
|
|
TURBOMOLE and Cube format
Started by I.Swart |
2 Replies
9363 Views |
October 18, 2007, 09:04:27 AM by I.Swart |
|
|
|
LCAO coefficients
Started by Gopakumar |
0 Replies
6111 Views |
December 13, 2007, 11:37:28 AM by Gopakumar |
|
|
|
quadrupole moments
Started by a.karl |
1 Replies
10219 Views |
March 04, 2008, 10:32:28 AM by christof.haettig |
|
|
|
Cube format and ECPs
Started by antti_karttunen |
2 Replies
7851 Views |
March 06, 2008, 11:40:17 AM by antti_karttunen |
|
|
|
option -proper
Started by arek1arek |
3 Replies
9538 Views |
March 14, 2008, 05:30:48 PM by uwe |
|
|
|
differential density
Started by arek1arek |
1 Replies
8285 Views |
March 27, 2008, 08:10:36 PM by arek1arek |
|
|
|
calculating charges on excited state
Started by sv |
1 Replies
7083 Views |
April 15, 2008, 04:40:56 PM by christof.haettig |
|
|
|
1 Replies
8642 Views |
April 15, 2008, 04:44:05 PM by christof.haettig |
|
|
|
|
Localization of virtual orbitals
Started by Matteo Guglielmi |
7 Replies
15483 Views |
April 15, 2008, 04:53:55 PM by christof.haettig |
|
|
|
Generate WFN file
Started by scope |
2 Replies
16950 Views |
June 02, 2008, 04:44:03 PM by christof.haettig |
|
|
|
5 Replies
11538 Views |
June 04, 2008, 11:43:10 AM by uwe |
|
|
|
|
wavefunction analysis : CDA etc.
Started by wwwups |
0 Replies
5965 Views |
June 06, 2008, 01:48:49 AM by wwwups |
|
|
|
egrad does not write ed.plt
Started by antti_karttunen |
2 Replies
7234 Views |
June 26, 2008, 11:23:30 AM by antti_karttunen |
|
|
|
questions on t2x
Started by zhangustc |
5 Replies
10514 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