| Subject / Started by | Replies / Views | Last post  |
||
|---|---|---|---|---|
|
|
setting for rimp2 caculation with ricc2
Started by YangSiYa |
3 Replies
28593 Views |
February 05, 2009, 02:22:12 PMby christof.haettig |
|
|
|
HOMO-LUMO gap
Started by sca |
0 Replies
25791 Views |
January 15, 2009, 09:05:51 PM by sca |
|
|
|
Reading a weird basis set
Started by Kiwinator |
2 Replies
26497 Views |
January 08, 2009, 03:54:10 PM by Kiwinator |
|
|
|
Optimization with frozen coordinates
Started by juanjo |
3 Replies
29910 Views |
November 24, 2008, 06:17:38 PM by juanjo |
|
|
|
3 Replies
34072 Views |
September 25, 2008, 10:32:02 AM by uwe |
|
|
|
|
2 Replies
27129 Views |
June 03, 2008, 10:26:34 AM by evgeniy |
|
|
|
|
3 Replies
31981 Views |
June 02, 2008, 06:17:38 PM by christof.haettig |
|
|
|
0 Replies
26080 Views |
June 02, 2008, 05:54:01 PM by christof.haettig |
|
|
|
|
Define dies with 'Too many atoms'
Started by Arrepiadd |
4 Replies
39648 Views |
April 25, 2008, 10:55:34 AM by Arrepiadd |
|
|
|
DFT+D calculations
Started by bademoor |
3 Replies
36486 Views |
April 18, 2008, 12:12:17 PM by bademoor |
|
|
|
2 Replies
28176 Views |
April 15, 2008, 07:19:17 PM by FKoehler |
|
|
|
|
4 Replies
34065 Views |
April 15, 2008, 06:48:05 PM by sca |
|
|
|
|
electric field unit
Started by patrikrydberg |
1 Replies
35462 Views |
April 15, 2008, 06:16:48 PM by christof.haettig |
|
|
|
On the def2-SV(P) basis sets
Started by evgeniy |
1 Replies
27560 Views |
April 07, 2008, 10:26:25 AM by Arnim |
|
|
|
flip @ define
Started by chburger |
2 Replies
32469 Views |
March 25, 2008, 11:07:33 AM by uwe |
|
|
|
binary mos error
Started by Daniel |
1 Replies
27948 Views |
March 19, 2008, 03:54:26 PM by Daniel |
|
|
|
2 Replies
32433 Views |
February 19, 2008, 02:39:29 PM by willows9803 |
|
|
|
|
weird_eht_2nd
Started by Kiwinator |
1 Replies
30638 Views |
February 13, 2008, 06:41:58 AM by uwe |
|
|
|
2 Replies
31920 Views |
January 17, 2008, 02:30:34 PM by Kiwinator |
|
|
|
|
optimisation from hessian
Started by monika |
1 Replies
37843 Views |
January 23, 2007, 12:36:54 PM by turbomaster |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic