Subject  / Started by |
Replies / Views | Last post | ||
|---|---|---|---|---|
|
|
Wrong symmetry with desy (and energies)
Started by asaf |
14 Replies
13509 Views |
October 25, 2010, 05:48:34 PMby asaf |
|
|
|
4 Replies
9699 Views |
February 18, 2013, 04:15:10 PM by uwe |
|
|
|
1 Replies
5759 Views |
August 25, 2015, 10:49:31 AM by uwe |
|
|
|
|
Use of fully separable ECP
Started by MarcMB |
0 Replies
5275 Views |
May 18, 2011, 09:02:16 AM by MarcMB |
|
|
|
2 Replies
6287 Views |
April 05, 2016, 06:09:34 PM by evgeniy |
|
|
|
|
Unrestricted DFT in H2 Dissociation
Started by Wook |
4 Replies
7861 Views |
March 27, 2017, 02:52:24 AM by Wook |
|
|
|
2 Replies
6648 Views |
April 13, 2011, 08:04:14 AM by antti_karttunen |
|
|
|
|
Two-component calculations
Started by tayed |
0 Replies
5023 Views |
November 28, 2011, 10:46:00 AM by tayed |
|
|
|
two component DFT calcaulation
Started by lihb734 |
1 Replies
6930 Views |
August 02, 2009, 01:09:26 PM by mpjohans |
|
|
|
1 Replies
5486 Views |
October 04, 2017, 04:31:43 PM by romarine |
|
|
|
|
Triplet scf converges to singlet
Started by akn123 |
1 Replies
2873 Views |
March 26, 2020, 08:28:19 AM by antti_karttunen |
|
|
|
1 Replies
3000 Views |
July 10, 2023, 07:22:01 PM by uwe |
|
|
|
|
total density
Started by muyajt |
0 Replies
6557 Views |
April 14, 2010, 05:04:34 PM by muyajt |
|
|
|
TM 6.3: problems with ridft (parallel)
Started by t.kerber |
4 Replies
6785 Views |
February 03, 2014, 03:13:38 PM by uwe |
|
|
|
Test ridft
Started by wojek |
3 Replies
7884 Views |
August 21, 2009, 09:48:01 AM by uwe |
|
|
|
0 Replies
5389 Views |
December 06, 2012, 12:15:37 PM by vormar |
|
|
|
|
2 Replies
6781 Views |
September 22, 2016, 12:51:08 PM by marand |
|
|
|
|
Starting guess for Os atom
Started by ghill |
0 Replies
5428 Views |
January 06, 2011, 11:01:29 AM by ghill |
|
|
|
spin-orbit problem
Started by sazabi |
4 Replies
8197 Views |
August 28, 2013, 04:33:26 PM by Hauke |
|
|
|
0 Replies
2904 Views |
June 16, 2023, 04:30:39 PM by rusakov |
|
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic