VTSTTools

Moderator: moderators

New Topic

1092 topics

Page 2 of 22
- Jump to page:
Previous
1
2
3
4
5
…
22
Next

Announcements

Replies

Views

Last post

Posting: vasp source code

Last post by graeme « Wed Jul 10, 2024 11:44 am

by graeme » Wed Jul 10, 2024 11:44 am

0 Replies

148605 Views

Last post by graeme
Wed Jul 10, 2024 11:44 am

Topics

Replies

Views

Last post

How to integrate CHGCAR values in Z-direction of a cell?

Last post by graeme « Sat Aug 05, 2023 3:08 pm
Replies: 1
by skm » Wed Aug 02, 2023 7:48 am

1 Replies

216174 Views

Last post by graeme
Sat Aug 05, 2023 3:08 pm
Error with nebmovie.pl script

Last post by graeme « Tue Aug 01, 2023 3:40 pm
Replies: 1
by anirudhnk » Mon Jul 31, 2023 5:44 pm

1 Replies

179919 Views

Last post by graeme
Tue Aug 01, 2023 3:40 pm
Movies in .xyz format

Last post by anirudhnk « Wed Jul 26, 2023 9:34 pm
Replies: 9
by anirudhnk » Thu Jan 26, 2023 7:21 pm

9 Replies

351714 Views

Last post by anirudhnk
Wed Jul 26, 2023 9:34 pm
NEB convergence problems

Last post by Aiden83 « Mon Jul 10, 2023 9:33 am
Replies: 3
by Aiden83 » Mon Jun 12, 2023 8:32 am

3 Replies

109591 Views

Last post by Aiden83
Mon Jul 10, 2023 9:33 am
While linking VTST with Vasp got Syntax error, found IDENTIFIER 'TSIF'

Last post by graeme « Fri Jun 23, 2023 3:15 pm
Replies: 1
by Deepak_Arumugam » Fri Jun 23, 2023 7:14 am

1 Replies

106456 Views

Last post by graeme
Fri Jun 23, 2023 3:15 pm
Estimated opinion on the simulation results

Last post by Supracrystal « Wed Jun 21, 2023 2:41 pm
Replies: 2
by Supracrystal » Wed Jun 21, 2023 2:25 pm

2 Replies

116246 Views

Last post by Supracrystal
Wed Jun 21, 2023 2:41 pm
Visualization of MODECAR?

Last post by Xinbang Liu « Wed Jun 21, 2023 7:00 am
Replies: 4
by Xinbang Liu » Thu Jun 15, 2023 2:00 am

4 Replies

112400 Views

Last post by Xinbang Liu
Wed Jun 21, 2023 7:00 am
Migration barrier unexpected too large

Last post by gitosr « Sat Jun 17, 2023 8:31 pm
Replies: 2
by gitosr » Mon Jun 05, 2023 3:50 pm

2 Replies

106670 Views

Last post by gitosr
Sat Jun 17, 2023 8:31 pm
Request for Assistance with CINEB Calculations.

Last post by Achraf « Tue Jun 13, 2023 11:20 am
Replies: 2
by Achraf » Sat Jun 10, 2023 2:20 pm

2 Replies

68441 Views

Last post by Achraf
Tue Jun 13, 2023 11:20 am
Compile VASP6.4.0 with latest VTST (195)

Last post by paulf « Sun Jun 11, 2023 3:42 am
Replies: 1
by jameshzd » Thu Feb 16, 2023 4:24 pm

1 Replies

63193 Views

Last post by paulf
Sun Jun 11, 2023 3:42 am
VTST tools problems with vasp 6.4.0 compilation

Last post by paulf « Thu Jun 08, 2023 8:59 am
Replies: 1
by paulf » Thu Jun 08, 2023 8:53 am

1 Replies

54077 Views

Last post by paulf
Thu Jun 08, 2023 8:59 am
Stuck NEB calculation

Last post by graeme « Wed Jun 07, 2023 1:50 am
Replies: 10
by anirudhnk » Sun Jun 04, 2023 12:08 am

10 Replies

318282 Views

Last post by graeme
Wed Jun 07, 2023 1:50 am
error while creating NEB images

Last post by Ankita « Mon Jun 05, 2023 6:03 am
Replies: 3
by Ankita » Sun Jun 04, 2023 6:22 am

3 Replies

35113 Views

Last post by Ankita
Mon Jun 05, 2023 6:03 am
questions about CENTCAR (how to find CENTCAR in OUTCAR)

Last post by Xinbang Liu « Sat May 27, 2023 4:51 pm

by Xinbang Liu » Sat May 27, 2023 4:51 pm

0 Replies

131719 Views

Last post by Xinbang Liu
Sat May 27, 2023 4:51 pm
Vacancy migration

Last post by anirudhnk « Fri May 26, 2023 7:01 pm
Replies: 6
by anirudhnk » Wed May 24, 2023 7:58 pm

6 Replies

225799 Views

Last post by anirudhnk
Fri May 26, 2023 7:01 pm
Restarting pre-converged Dimer Calculations

Last post by Xinbang Liu « Mon May 22, 2023 11:45 am
Replies: 3
by mdh » Tue Mar 08, 2022 1:51 pm

3 Replies

66957 Views

Last post by Xinbang Liu
Mon May 22, 2023 11:45 am
Possible Bug of vtst6.3 compiled with GPU

Last post by zongtang « Wed May 10, 2023 3:26 pm
Replies: 1
by zongtang » Wed May 10, 2023 2:49 pm

1 Replies

86655 Views

Last post by zongtang
Wed May 10, 2023 3:26 pm
Error reading item 'IOPT' from file INCAR.

Last post by gnayak « Wed May 03, 2023 10:27 am
Replies: 9
by mmg016 » Wed Aug 30, 2017 10:09 am

9 Replies

54226 Views

Last post by gnayak
Wed May 03, 2023 10:27 am
Questions about DynMat calculation of gas-phase methanol

Last post by graeme « Fri Apr 21, 2023 2:28 am
Replies: 16
by jianmin » Mon Feb 08, 2010 9:07 pm
1

2
16 Replies

456932 Views

Last post by graeme
Fri Apr 21, 2023 2:28 am
How NEB works when atoms are fixed?

Last post by graeme « Thu Apr 20, 2023 4:01 am
Replies: 3
by musanna » Thu Apr 13, 2023 6:04 am

3 Replies

19691 Views

Last post by graeme
Thu Apr 20, 2023 4:01 am
compile vasp.6.3.0 with vtst-197

Last post by wkq « Sun Apr 16, 2023 1:29 am

by wkq » Sun Apr 16, 2023 1:29 am

0 Replies

178877 Views

Last post by wkq
Sun Apr 16, 2023 1:29 am
vasp6.4 and VTST - different from 6.3 instructions?

Last post by magomez « Sat Apr 08, 2023 11:45 pm
Replies: 2
by magomez » Wed Apr 05, 2023 9:58 pm

2 Replies

16541 Views

Last post by magomez
Sat Apr 08, 2023 11:45 pm
RELAXATION EXPLOSION

Last post by gitosr « Fri Apr 07, 2023 9:08 am
Replies: 3
by gitosr » Mon Jan 30, 2023 9:07 pm

3 Replies

64580 Views

Last post by gitosr
Fri Apr 07, 2023 9:08 am
Optimizer IOPT=2

Last post by Ammi « Thu Apr 06, 2023 8:37 am
Replies: 4
by Ammi » Wed Apr 05, 2023 9:17 am

4 Replies

150569 Views

Last post by Ammi
Thu Apr 06, 2023 8:37 am
About NEB calculations

Last post by poonamsharma « Mon Apr 03, 2023 9:55 pm
Replies: 2
by poonamsharma » Mon Apr 03, 2023 4:24 am

2 Replies

28246 Views

Last post by poonamsharma
Mon Apr 03, 2023 9:55 pm
energy of images

Last post by ibrahim « Fri Mar 31, 2023 1:08 am
Replies: 15
by ibrahim » Wed Mar 08, 2023 5:34 am
1

2
15 Replies

506406 Views

Last post by ibrahim
Fri Mar 31, 2023 1:08 am
dist.pl script shows different distance values

Last post by siddharth « Tue Mar 28, 2023 2:04 pm
Replies: 7
by siddharth » Thu Mar 16, 2023 2:37 pm

7 Replies

19530 Views

Last post by siddharth
Tue Mar 28, 2023 2:04 pm
High Migration Energy Barrier

Last post by graeme « Tue Mar 07, 2023 3:06 pm
Replies: 6
by musanna » Sun Feb 12, 2023 7:25 pm

6 Replies

21791 Views

Last post by graeme
Tue Mar 07, 2023 3:06 pm
How to increase resolution of images in NEB method?

Last post by nokimann « Mon Mar 06, 2023 7:44 am
Replies: 2
by nokimann » Fri Mar 03, 2023 3:33 am

2 Replies

11633 Views

Last post by nokimann
Mon Mar 06, 2023 7:44 am
NEB apparently hangs

Last post by paulf « Fri Mar 03, 2023 2:17 am
Replies: 5
by paulf » Thu Feb 23, 2023 11:07 am

5 Replies

56209 Views

Last post by paulf
Fri Mar 03, 2023 2:17 am
vtstscripts.tgz

Last post by graeme « Tue Feb 28, 2023 9:09 pm
Replies: 1
by tgomez » Tue Feb 28, 2023 8:21 pm

1 Replies

9358 Views

Last post by graeme
Tue Feb 28, 2023 9:09 pm
Error Pops VTST on VASP 6.3.2

Last post by Sam « Thu Feb 02, 2023 7:13 pm
Replies: 2
by Sam » Thu Feb 02, 2023 4:22 pm

2 Replies

133218 Views

Last post by Sam
Thu Feb 02, 2023 7:13 pm
How to use the script?

Last post by lakakhan « Wed Feb 01, 2023 9:33 am
Replies: 10
by lemon » Wed Oct 17, 2018 2:17 am

10 Replies

58437 Views

Last post by lakakhan
Wed Feb 01, 2023 9:33 am
Migration barrier

Last post by graeme « Tue Jan 24, 2023 3:09 pm
Replies: 6
by anirudhnk » Mon Dec 12, 2022 9:02 pm

6 Replies

167078 Views

Last post by graeme
Tue Jan 24, 2023 3:09 pm
Creating Initial and Final POSCARs for NEB calculation>

Last post by graeme « Thu Jan 19, 2023 6:40 pm
Replies: 3
by eeluno0694 » Tue Jan 17, 2023 11:41 pm

3 Replies

13268 Views

Last post by graeme
Thu Jan 19, 2023 6:40 pm
Interpolated Images at Constant V

Last post by graeme « Mon Jan 16, 2023 5:22 pm
Replies: 1
by lizpan1 » Fri Dec 02, 2022 4:48 pm

1 Replies

10326 Views

Last post by graeme
Mon Jan 16, 2023 5:22 pm
error compiling VASP 6.3.0 with VTST

Last post by k.nishi « Sat Jan 14, 2023 3:56 am
Replies: 9
by k.nishi » Mon Dec 26, 2022 9:19 am

9 Replies

309682 Views

Last post by k.nishi
Sat Jan 14, 2023 3:56 am
Vasp6.3

Last post by sung « Fri Jan 13, 2023 3:36 pm
Replies: 1
by ibrahim » Wed Jan 11, 2023 7:56 am

1 Replies

111963 Views

Last post by sung
Fri Jan 13, 2023 3:36 pm
How Does VTST Define Saddle Point When There Are Multiple Saddle Points

Last post by JiQi535 « Fri Dec 30, 2022 9:08 am
Replies: 2
by JiQi535 » Thu Dec 29, 2022 2:33 am

2 Replies

9624 Views

Last post by JiQi535
Fri Dec 30, 2022 9:08 am
VTSTCODE v190 Nvidia comipiler issue

Last post by jiyoung « Tue Dec 27, 2022 6:21 pm
Replies: 2
by jsarlo » Mon Dec 19, 2022 3:46 pm

2 Replies

172474 Views

Last post by jiyoung
Tue Dec 27, 2022 6:21 pm
VTSTCODE for VASP 6.3.0 GPU port

Last post by shaoming « Sun Dec 25, 2022 7:32 am
Replies: 2
by shaoming » Wed Dec 14, 2022 3:11 am

2 Replies

127399 Views

Last post by shaoming
Sun Dec 25, 2022 7:32 am
VASP 6.1.0 GPU for neb

Last post by shaoming « Mon Dec 19, 2022 3:13 am

by shaoming » Mon Dec 19, 2022 3:13 am

0 Replies

170144 Views

Last post by shaoming
Mon Dec 19, 2022 3:13 am
Problem compiling instanton.F

Last post by guedessobrinho « Sun Dec 04, 2022 3:27 pm
Replies: 12
by GingerF » Fri Jun 04, 2021 3:27 pm

12 Replies

338716 Views

Last post by guedessobrinho
Sun Dec 04, 2022 3:27 pm
There is no ml_pyamff.F library in vtstcode-184.tgz

Last post by guedessobrinho « Sun Dec 04, 2022 3:23 pm
Replies: 3
by guedessobrinho » Wed Nov 30, 2022 6:00 pm

3 Replies

150526 Views

Last post by guedessobrinho
Sun Dec 04, 2022 3:23 pm
OUTCAR File Reading

Last post by lizpan1 « Fri Dec 02, 2022 4:46 pm
Replies: 2
by lizpan1 » Wed Nov 02, 2022 8:49 pm

2 Replies

10507 Views

Last post by lizpan1
Fri Dec 02, 2022 4:46 pm
Visualizing in jmol

Last post by as68397 « Wed Nov 09, 2022 11:18 am
Replies: 1
by anirudhnk » Wed Oct 19, 2022 10:49 pm

1 Replies

86449 Views

Last post by as68397
Wed Nov 09, 2022 11:18 am
Reaction path for the charged adsorbates system

Last post by itachww « Mon Oct 03, 2022 4:31 am
Replies: 2
by itachww » Sat Oct 01, 2022 7:37 am

2 Replies

11688 Views

Last post by itachww
Mon Oct 03, 2022 4:31 am
neb2dim.pl ZERO DISTANCE BETWEEN IMAGES

Last post by mingxia323 « Fri Sep 23, 2022 5:02 am
Replies: 2
by mingxia323 » Thu Sep 22, 2022 4:09 am

2 Replies

10620 Views

Last post by mingxia323
Fri Sep 23, 2022 5:02 am
Can we do nonlinear interpolation？

Last post by graeme « Thu Sep 22, 2022 6:55 pm
Replies: 7
by yudeng » Sat Apr 23, 2022 2:04 pm

7 Replies

21564 Views

Last post by graeme
Thu Sep 22, 2022 6:55 pm
Convergence issue with NEB

Last post by graeme « Tue Sep 13, 2022 7:40 pm
Replies: 14
by anirudhnk » Wed Sep 07, 2022 7:59 pm

14 Replies

338006 Views

Last post by graeme
Tue Sep 13, 2022 7:40 pm

New Topic

1092 topics

Page 2 of 22
- Jump to page:
Previous
1
2
3
4
5
…
22
Next

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum