Subject / Started by | Replies / Views | Last post | ||
---|---|---|---|---|
Continue with optimization
Started by fgn1986 |
0 Replies
5415 Views |
May 24, 2012, 02:49:22 PM by fgn1986 |
||
Use of fully separable ECP
Started by MarcMB |
0 Replies
5716 Views |
May 18, 2011, 09:02:16 AM by MarcMB |
||
0 Replies
5798 Views |
December 26, 2010, 11:55:06 AM by asaf |
|||
DSCF $incore integer overflow
Started by f.uhlig |
0 Replies
6206 Views |
December 17, 2010, 06:02:22 PM by f.uhlig |
||
two-electron integrals
Started by Dawood234 |
0 Replies
293 Views |
May 10, 2024, 06:29:50 PM by Dawood234 |
||
Two-component calculations
Started by tayed |
0 Replies
5460 Views |
November 28, 2011, 10:46:00 AM by tayed |
||
0 Replies
5483 Views |
December 08, 2011, 12:39:52 PM by tayed |
|||
0 Replies
5880 Views |
December 09, 2011, 02:40:12 PM by QuantumDude |
|||
Starting guess for Os atom
Started by ghill |
0 Replies
5870 Views |
January 06, 2011, 11:01:29 AM by ghill |
||
Heavy DFT calculations
Started by evgeniy |
0 Replies
5325 Views |
January 16, 2012, 03:20:30 PM by evgeniy |
||
total density
Started by muyajt |
0 Replies
7001 Views |
April 14, 2010, 05:04:34 PM by muyajt |
||
0 Replies
6594 Views |
March 19, 2010, 05:44:08 AM by ylniu |
|||
point charges in a HF-3c calculation
Started by makochman1 |
0 Replies
2858 Views |
July 27, 2021, 04:46:42 PM by makochman1 |
||
PEEC Manual Example
Started by foea |
0 Replies
6186 Views |
January 25, 2012, 10:22:32 AM by foea |
||
problem in running optimization
Started by jitmukherjeechem |
0 Replies
5608 Views |
May 14, 2012, 05:59:28 PM by jitmukherjeechem |
||
0 Replies
5832 Views |
December 06, 2012, 12:15:37 PM by vormar |
|||
0 Replies
4204 Views |
December 15, 2021, 12:19:56 AM by dsahsah |
|||
reference in define of B97-D
Started by Stefan |
0 Replies
6420 Views |
April 04, 2011, 04:46:57 AM by Stefan |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic