Subject / Started by  |
Replies / Views | Last post | ||
|---|---|---|---|---|
|
|
1 Replies
5015 Views |
March 08, 2012, 02:23:14 PMby antti_karttunen |
|
|
|
|
TDDFT calculations using b3-lyp functional
Started by golden |
1 Replies
6627 Views |
September 15, 2012, 09:42:11 PM by Christof |
|
|
|
Abnormal termination of egrad
Started by jakob |
1 Replies
5089 Views |
August 09, 2016, 08:51:54 PM by uwe |
|
|
|
Escf for 2c- (spin-orbit) SCF/DFT
Started by JakubV |
3 Replies
223 Views |
February 15, 2023, 11:56:32 AM by chris.hol |
|
|
|
TDDFT cosmo
Started by jbaltrus |
0 Replies
4516 Views |
October 02, 2010, 01:56:30 AM by jbaltrus |
|
|
|
twoint empty
Started by jbaltrus |
0 Replies
3988 Views |
June 22, 2011, 03:44:54 PM by jbaltrus |
|
|
|
problems with S1 optimization
Started by jc3 |
1 Replies
6368 Views |
October 23, 2008, 01:03:43 PM by Arnim |
|
|
|
EGRAD and NBO
Started by jchackett |
1 Replies
5514 Views |
May 28, 2009, 10:16:07 AM by Arnim |
|
|
|
2 Replies
5646 Views |
February 05, 2015, 06:48:12 PM by Jerry |
|
|
|
|
How to switch off the XC kernel?
Started by JohnZhou_case |
0 Replies
633 Views |
April 18, 2022, 09:10:23 PM by JohnZhou_case |
|
|
|
1 Replies
5870 Views |
January 15, 2010, 08:26:29 AM by christof.haettig |
|
|
|
|
0 Replies
4722 Views |
March 22, 2010, 04:59:41 PM by kmlin |
|
|
|
|
Strange excitations while using desy
Started by Kwiatkowski |
1 Replies
4564 Views |
October 01, 2015, 10:34:26 AM by christof.haettig |
|
|
|
0 Replies
4758 Views |
February 06, 2015, 02:00:28 PM by Leprechaum |
|
|
|
|
1 Replies
4707 Views |
November 20, 2015, 03:52:19 PM by christof.haettig |
|
|
|
|
1 Replies
8797 Views |
February 26, 2007, 05:42:27 PM by dimi |
|
|
|
|
singlet excitation
Started by lsikk |
4 Replies
9178 Views |
June 05, 2007, 11:37:44 AM by lsikk |
|
|
|
exited state polarizability
Started by lsikk |
2 Replies
8169 Views |
March 27, 2009, 02:57:09 PM by christof.haettig |
|
|
|
TDDFT with B97-3c
Started by luyj |
0 Replies
1698 Views |
June 12, 2020, 06:22:55 PM by luyj |
|
|
|
Subsequent Escf runs - How to?
Started by marcen |
0 Replies
3326 Views |
March 14, 2018, 10:56:15 AM by marcen |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic