| Subject / Started by | Replies / Views | Last post  |
||
|---|---|---|---|---|
|
|
joining coord files
Started by ym21d@fsu.edu |
1 Replies
293 Views |
May 26, 2024, 05:25:22 PMby antti_karttunen |
|
|
|
1 Replies
6005 Views |
May 24, 2024, 08:30:43 PM by ym21d@fsu.edu |
|
|
|
|
How to do a NEB calculation
Started by ym21d@fsu.edu |
1 Replies
213 Views |
May 24, 2024, 11:13:36 AM by yannickf |
|
|
|
How to use HAGA for optimization?
Started by Robin1991 |
0 Replies
570 Views |
May 13, 2024, 05:28:26 PM by Robin1991 |
|
|
|
Really deep SCF energies DFT (with dscf)
Started by marilu98 |
6 Replies
4765 Views |
November 29, 2023, 06:23:41 PM by uwe |
|
|
|
Keywords for density matrix, fock matrix
Started by Amin |
2 Replies
3807 Views |
June 22, 2023, 03:38:22 PM by Amin |
|
|
|
0 Replies
3550 Views |
June 13, 2023, 08:06:03 AM by Kritika22 |
|
|
|
|
3 Replies
3801 Views |
May 01, 2023, 07:39:51 PM by uwe |
|
|
|
|
Heavy elements and relativistic effects
Started by JakubV |
9 Replies
5721 Views |
April 20, 2023, 10:33:25 AM by uwe |
|
|
|
1 Replies
3591 Views |
April 05, 2023, 07:16:02 PM by uwe |
|
|
|
|
1 Replies
3690 Views |
February 13, 2023, 02:58:39 PM by uwe |
|
|
|
|
0 Replies
3618 Views |
January 26, 2023, 04:06:37 PM by ym21d@fsu.edu |
|
|
|
|
Evib module question
Started by akolio |
1 Replies
3850 Views |
October 24, 2022, 02:42:10 PM by akolio |
|
|
|
1 Replies
4199 Views |
March 10, 2022, 09:56:35 AM by uwe |
|
|
|
|
Run BSSE with PBE-def2-QZVPPD
Started by prasanta13 |
5 Replies
4800 Views |
March 08, 2022, 05:25:04 AM by prasanta13 |
|
|
|
Alternate SCF algorithms?
Started by jad1507 |
0 Replies
4483 Views |
May 07, 2021, 12:05:20 PM by jad1507 |
|
|
|
1 Replies
5234 Views |
September 18, 2020, 11:48:53 AM by uwe |
|
|
|
|
0 Replies
6470 Views |
July 13, 2020, 06:51:56 PM by chris.hol |
|
|
|
|
electrostatic field
Started by Aleksandar Staykov |
0 Replies
5273 Views |
January 12, 2020, 04:08:57 PM by Aleksandar Staykov |
|
|
|
potential surface scan
Started by saikat403 |
2 Replies
7158 Views |
October 11, 2019, 09:39:34 PM by saikat403 |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic