| Subject / Started by | Replies / Views | Last post  |
||
|---|---|---|---|---|
|
|
eiger function not working
Started by golden |
5 Replies
8254 Views |
February 07, 2012, 08:32:23 PMby antti_karttunen |
|
|
|
PEEC Manual Example
Started by foea |
0 Replies
5767 Views |
January 25, 2012, 10:22:32 AM by foea |
|
|
|
Heavy DFT calculations
Started by evgeniy |
0 Replies
4906 Views |
January 16, 2012, 03:20:30 PM by evgeniy |
|
|
|
0 Replies
5466 Views |
December 09, 2011, 02:40:12 PM by QuantumDude |
|
|
|
|
0 Replies
5062 Views |
December 08, 2011, 12:39:52 PM by tayed |
|
|
|
|
Two-component calculations
Started by tayed |
0 Replies
5043 Views |
November 28, 2011, 10:46:00 AM by tayed |
|
|
|
Functionals
Started by 175116 |
1 Replies
7374 Views |
November 17, 2011, 03:57:42 PM by uwe |
|
|
|
major difference between pbe and b3-lyp
Started by foea |
4 Replies
8103 Views |
November 14, 2011, 03:06:21 PM by foea |
|
|
|
ERROR in dscf step
Started by Mik |
2 Replies
6650 Views |
October 14, 2011, 06:24:28 PM by Mik |
|
|
|
1 Replies
5672 Views |
October 14, 2011, 10:08:23 AM by andreas |
|
|
|
|
Printing out two electron integrals
Started by MarcMB |
1 Replies
6093 Views |
August 11, 2011, 06:13:17 PM by christof.haettig |
|
|
|
fatal error in moredu
Started by Danylo |
1 Replies
6214 Views |
May 31, 2011, 11:03:42 AM by uwe |
|
|
|
Use of fully separable ECP
Started by MarcMB |
0 Replies
5296 Views |
May 18, 2011, 09:02:16 AM by MarcMB |
|
|
|
2 Replies
6038 Views |
May 09, 2011, 01:31:37 PM by yasmeen |
|
|
|
|
2 Replies
6669 Views |
April 13, 2011, 08:04:14 AM by antti_karttunen |
|
|
|
|
Is def2-TZVP O.K
Started by asaf |
7 Replies
16166 Views |
April 06, 2011, 07:48:09 PM by antti_karttunen |
|
|
|
reference in define of B97-D
Started by Stefan |
0 Replies
5995 Views |
April 04, 2011, 04:46:57 AM by Stefan |
|
|
|
4 Replies
7685 Views |
March 16, 2011, 03:12:21 PM by asaf |
|
|
|
|
gradient accuracy - general question
Started by asaf |
2 Replies
6727 Views |
January 20, 2011, 02:38:08 PM by christof.haettig |
|
|
|
Starting guess for Os atom
Started by ghill |
0 Replies
5448 Views |
January 06, 2011, 11:01:29 AM by ghill |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic