Subject / Started by  |
Replies / Views | Last post | ||
|---|---|---|---|---|
|
|
point charge changed problem
Started by chenjinfeng |
1 Replies
2723 Views |
April 01, 2021, 03:08:47 PMby uwe |
|
|
|
2 Replies
4279 Views |
February 07, 2022, 03:22:11 PM by ChrisS |
|
|
|
MOVED: Problem with Mpgrad
Started by christof.haettig |
0 Replies
10332 Views |
February 13, 2007, 03:35:12 PM by christof.haettig |
|
|
|
DFT-D4 energy for charged systems
Started by cneiss |
3 Replies
4047 Views |
March 02, 2022, 10:45:32 AM by uwe |
|
|
|
ridft+dsp problem with Curium/HOH
Started by corey.taylor |
4 Replies
5324 Views |
November 26, 2019, 11:21:07 AM by corey.taylor |
|
|
|
DSCF No Exchange Energy
Started by cwoods7 |
3 Replies
2891 Views |
February 17, 2024, 10:35:04 AM by chris.hol |
|
|
|
Density plots from DSCF
Started by cwoods7 |
3 Replies
2424 Views |
March 13, 2024, 10:02:35 PM by uwe |
|
|
|
fatal error in moredu
Started by Danylo |
1 Replies
6488 Views |
May 31, 2011, 11:03:42 AM by uwe |
|
|
|
two-electron integrals
Started by Dawood234 |
0 Replies
115 Views |
May 10, 2024, 06:29:50 PM by Dawood234 |
|
|
|
Segmentation Faults Using COSMO
Started by Dempsey |
2 Replies
4272 Views |
February 18, 2022, 05:02:00 PM by Dempsey |
|
|
|
1 Replies
3460 Views |
December 23, 2023, 11:36:15 AM by yannickf |
|
|
|
|
0 Replies
4046 Views |
December 15, 2021, 12:19:56 AM by dsahsah |
|
|
|
|
Problem with BSSE calculation at DFT level
Started by dzd |
4 Replies
8946 Views |
April 17, 2013, 09:00:25 AM by uwe |
|
|
|
Heavy DFT calculations
Started by evgeniy |
0 Replies
5175 Views |
January 16, 2012, 03:20:30 PM by evgeniy |
|
|
|
2 Replies
6367 Views |
April 05, 2016, 06:09:34 PM by evgeniy |
|
|
|
|
Questions on grid size in dft
Started by evgeniy |
5 Replies
10250 Views |
December 05, 2013, 10:10:55 AM by Arnim |
|
|
|
0 Replies
5220 Views |
November 22, 2013, 07:51:50 PM by evgeniy |
|
|
|
|
DSCF $incore integer overflow
Started by f.uhlig |
0 Replies
6059 Views |
December 17, 2010, 06:02:22 PM by f.uhlig |
|
|
|
ridft probelm of 'actual -r'
Started by fantastic2012 |
4 Replies
12524 Views |
September 06, 2012, 04:55:33 PM by golden |
|
|
|
1 Replies
6097 Views |
May 24, 2012, 01:35:42 PM by Arnim |
|
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic