| Subject / Started by | Replies  / Views |
Last post | ||
|---|---|---|---|---|
|
|
Problem with BSSE calculation at DFT level
Started by dzd |
4 Replies
8983 Views |
April 17, 2013, 09:00:25 AMby uwe |
|
|
|
TM 6.3: problems with ridft (parallel)
Started by t.kerber |
4 Replies
6868 Views |
February 03, 2014, 03:13:38 PM by uwe |
|
|
|
ridft probelm of 'actual -r'
Started by fantastic2012 |
4 Replies
12561 Views |
September 06, 2012, 04:55:33 PM by golden |
|
|
|
4 Replies
8013 Views |
March 16, 2011, 03:12:21 PM by asaf |
|
|
|
|
4 Replies
10038 Views |
February 18, 2013, 04:15:10 PM by uwe |
|
|
|
|
major difference between pbe and b3-lyp
Started by foea |
4 Replies
8418 Views |
November 14, 2011, 03:06:21 PM by foea |
|
|
|
Unrestricted DFT in H2 Dissociation
Started by Wook |
4 Replies
7942 Views |
March 27, 2017, 02:52:24 AM by Wook |
|
|
|
ridft+dsp problem with Curium/HOH
Started by corey.taylor |
4 Replies
5328 Views |
November 26, 2019, 11:21:07 AM by corey.taylor |
|
|
|
RI for hybrid DFT
Started by Marisa |
4 Replies
11912 Views |
October 07, 2008, 02:13:38 PM by Marisa |
|
|
|
Questions on grid size in dft
Started by evgeniy |
5 Replies
10258 Views |
December 05, 2013, 10:10:55 AM by Arnim |
|
|
|
PEECM calculation in TURBOMOLE 7.0
Started by saleheen_noman |
5 Replies
11443 Views |
October 30, 2016, 07:56:38 PM by saleheen_noman |
|
|
|
eiger function not working
Started by golden |
5 Replies
8563 Views |
February 07, 2012, 08:32:23 PM by antti_karttunen |
|
|
|
5 Replies
8906 Views |
January 15, 2010, 09:04:04 PM by uwe |
|
|
|
|
5 Replies
3987 Views |
April 12, 2024, 01:12:46 AM by yannickf |
|
|
|
|
scratch directory in ridft
Started by Bob79 |
6 Replies
9653 Views |
August 22, 2013, 02:17:06 PM by uwe |
|
|
|
Memory Problem
Started by idet2 |
6 Replies
13045 Views |
November 10, 2007, 12:26:20 AM by idet2 |
|
|
|
Is def2-TZVP O.K
Started by asaf |
7 Replies
16504 Views |
April 06, 2011, 07:48:09 PM by antti_karttunen |
|
|
|
Wrong symmetry with desy (and energies)
Started by asaf |
14 Replies
13879 Views |
October 25, 2010, 05:48:34 PM by asaf |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic