VTSTTools

Moderator: moderators

New Topic

1086 topics

Page 20 of 22
- Jump to page:
Previous
1
…
18
19
20
21
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

50077 Views

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

Topics

Replies

Views

Last post

about dimer calculation

Last post by graeme « Mon Dec 03, 2007 12:12 am
Replies: 7
by kxshan » Mon Nov 12, 2007 1:57 am

7 Replies

80552 Views

Last post by graeme
Mon Dec 03, 2007 12:12 am
question about nebmake.pl

Last post by graeme « Sat Dec 01, 2007 7:24 pm
Replies: 1
by lusommmg » Sat Dec 01, 2007 7:20 am

1 Replies

32112 Views

Last post by graeme
Sat Dec 01, 2007 7:24 pm
Optimizers in VTST

Last post by piospi « Wed Nov 28, 2007 3:17 pm
Replies: 2
by piospi » Thu Nov 22, 2007 11:24 am

2 Replies

43769 Views

Last post by piospi
Wed Nov 28, 2007 3:17 pm
neb calculation under high pressure

Last post by graeme « Wed Nov 28, 2007 5:59 am
Replies: 1
by lusommmg » Wed Nov 28, 2007 2:02 am

1 Replies

32247 Views

Last post by graeme
Wed Nov 28, 2007 5:59 am
about POTIM

Last post by graeme « Wed Nov 21, 2007 7:44 pm
Replies: 1
by lusommmg » Mon Nov 19, 2007 1:40 am

1 Replies

34875 Views

Last post by graeme
Wed Nov 21, 2007 7:44 pm
Problem with NEB running

Last post by graeme « Wed Nov 21, 2007 7:38 pm
Replies: 1
by lusommmg » Mon Nov 19, 2007 3:25 am

1 Replies

32344 Views

Last post by graeme
Wed Nov 21, 2007 7:38 pm
error arised from parallel calculation

Last post by graeme « Wed Nov 21, 2007 7:36 pm
Replies: 1
by lanjh » Sat Nov 17, 2007 11:46 pm

1 Replies

51182 Views

Last post by graeme
Wed Nov 21, 2007 7:36 pm
questions about scripts

Last post by lusommmg « Mon Nov 19, 2007 1:42 am
Replies: 2
by lusommmg » Fri Nov 16, 2007 8:01 am

2 Replies

40514 Views

Last post by lusommmg
Mon Nov 19, 2007 1:42 am
the "doslanalyze" script

Last post by hlzya « Thu Nov 15, 2007 1:11 am
Replies: 2
by hlzya » Wed Nov 14, 2007 2:42 am

2 Replies

75550 Views

Last post by hlzya
Thu Nov 15, 2007 1:11 am
Optimization of Vasp

Last post by graeme « Tue Nov 06, 2007 5:37 am
Replies: 1
by sangamesh » Sat Nov 03, 2007 6:26 am

1 Replies

8726 Views

Last post by graeme
Tue Nov 06, 2007 5:37 am
NEB Convergence

Last post by aarondesk « Fri Oct 26, 2007 7:15 pm
Replies: 4
by aarondesk » Wed Oct 24, 2007 10:05 pm

4 Replies

72657 Views

Last post by aarondesk
Fri Oct 26, 2007 7:15 pm
Reference

Last post by mohinder « Thu Oct 25, 2007 6:38 pm
Replies: 2
by mohinder » Wed Oct 24, 2007 12:19 am

2 Replies

7858 Views

Last post by mohinder
Thu Oct 25, 2007 6:38 pm
a question about vtst

Last post by graeme « Fri Oct 19, 2007 4:50 pm
Replies: 1
by kxshan » Fri Oct 19, 2007 9:03 am

1 Replies

33058 Views

Last post by graeme
Fri Oct 19, 2007 4:50 pm
A NEB question

Last post by graeme « Fri Oct 12, 2007 1:16 am
Replies: 1
by changcs » Thu Oct 11, 2007 6:18 pm

1 Replies

6722 Views

Last post by graeme
Fri Oct 12, 2007 1:16 am
How to calculate the energy barrier at certain temperature

Last post by graeme « Sat Sep 29, 2007 4:06 am
Replies: 1
by hlzya » Fri Sep 28, 2007 2:38 am

1 Replies

57044 Views

Last post by graeme
Sat Sep 29, 2007 4:06 am
A question on dimer run

Last post by graeme « Sun Sep 23, 2007 6:19 am
Replies: 3
by hlzya » Sun Sep 23, 2007 3:44 am

3 Replies

85877 Views

Last post by graeme
Sun Sep 23, 2007 6:19 am
about NEB calculation

Last post by graeme « Tue Sep 18, 2007 3:29 am
Replies: 1
by lanjh » Tue Sep 18, 2007 12:55 am

1 Replies

50954 Views

Last post by graeme
Tue Sep 18, 2007 3:29 am
about dimer calculation

Last post by graeme « Tue Sep 18, 2007 3:22 am
Replies: 1
by lanjh » Sat Sep 15, 2007 1:16 am

1 Replies

52473 Views

Last post by graeme
Tue Sep 18, 2007 3:22 am
Problem in claculating MEP

Last post by camilo « Sat Sep 08, 2007 7:34 pm
Replies: 7
by zhangj » Mon May 21, 2007 2:33 am

7 Replies

25988 Views

Last post by camilo
Sat Sep 08, 2007 7:34 pm
how to do zero point energy correction by vasp

Last post by graeme « Fri Sep 07, 2007 7:40 pm
Replies: 1
by lanjh » Wed Sep 05, 2007 12:24 am

1 Replies

61953 Views

Last post by graeme
Fri Sep 07, 2007 7:40 pm
A question on dimer method

Last post by graeme « Wed Sep 05, 2007 4:17 pm
Replies: 1
by hlzya » Wed Sep 05, 2007 7:41 am

1 Replies

58229 Views

Last post by graeme
Wed Sep 05, 2007 4:17 pm
err with dimer calculation

Last post by graeme « Tue Sep 04, 2007 4:03 am
Replies: 3
by lanjh » Mon Sep 03, 2007 8:35 am

3 Replies

76293 Views

Last post by graeme
Tue Sep 04, 2007 4:03 am
how to restart dimer calculation?

Last post by graeme « Sat Sep 01, 2007 4:15 am
Replies: 1
by lanjh » Sat Sep 01, 2007 3:29 am

1 Replies

51648 Views

Last post by graeme
Sat Sep 01, 2007 4:15 am
How to view the file movie.xyz

Last post by graeme « Mon Aug 13, 2007 4:39 am
Replies: 1
by lcyin » Mon Aug 13, 2007 3:27 am

1 Replies

61603 Views

Last post by graeme
Mon Aug 13, 2007 4:39 am
new scprits for doslanalyze.pl and doslplot.pl

Last post by Wenjie « Sat Aug 04, 2007 3:29 am

by Wenjie » Sat Aug 04, 2007 3:29 am

0 Replies

37672 Views

Last post by Wenjie
Sat Aug 04, 2007 3:29 am
what's wrong with my OSZICAR file?

Last post by graeme « Thu Aug 02, 2007 5:17 pm
Replies: 1
by botaoteng » Thu Aug 02, 2007 8:10 am

1 Replies

9020 Views

Last post by graeme
Thu Aug 02, 2007 5:17 pm
Error while compiling with vasp code

Last post by wongtenit « Tue Jul 24, 2007 2:54 am
Replies: 2
by wongtenit » Mon Jul 23, 2007 5:56 am

2 Replies

9705 Views

Last post by wongtenit
Tue Jul 24, 2007 2:54 am
The influence of VTST code on total energy

Last post by graeme « Tue Jul 17, 2007 3:54 pm
Replies: 1
by lanjh » Tue Jul 17, 2007 6:39 am

1 Replies

48964 Views

Last post by graeme
Tue Jul 17, 2007 3:54 pm
Single point calculation

Last post by graeme « Sat Jul 14, 2007 6:53 am
Replies: 5
by staar » Wed Mar 28, 2007 4:13 pm

5 Replies

103612 Views

Last post by graeme
Sat Jul 14, 2007 6:53 am
Runtime I/O error in neb.F (neb.f90)

Last post by andri « Sat Jul 07, 2007 11:06 am
Replies: 3
by abf123 » Fri Jul 06, 2007 6:03 pm

3 Replies

48876 Views

Last post by andri
Sat Jul 07, 2007 11:06 am
Problem of energy gradiance still exists

Last post by staar « Wed Jun 20, 2007 7:47 am

by staar » Wed Jun 20, 2007 7:47 am

0 Replies

44780 Views

Last post by staar
Wed Jun 20, 2007 7:47 am
Questions about nebresult.pl

Last post by lcyin « Thu Jun 14, 2007 2:14 am
Replies: 10
by lcyin » Fri Jun 08, 2007 5:43 am

10 Replies

233907 Views

Last post by lcyin
Thu Jun 14, 2007 2:14 am
Dimer derived structure to single point calculation

Last post by graeme « Wed Jun 06, 2007 4:27 am
Replies: 1
by staar » Tue Jun 05, 2007 7:37 am

1 Replies

49604 Views

Last post by graeme
Wed Jun 06, 2007 4:27 am
about neb calculation

Last post by andri « Wed Jun 06, 2007 4:20 am
Replies: 1
by lanjh » Sun Jun 03, 2007 12:59 am

1 Replies

49408 Views

Last post by andri
Wed Jun 06, 2007 4:20 am
Problem in convergence

Last post by zhangj « Fri Jun 01, 2007 7:48 am
Replies: 4
by zhangj » Mon May 28, 2007 2:26 am

4 Replies

13008 Views

Last post by zhangj
Fri Jun 01, 2007 7:48 am
Start state and end state

Last post by graeme « Wed May 30, 2007 2:34 pm
Replies: 3
by zhangj » Fri May 25, 2007 6:10 am

3 Replies

10670 Views

Last post by graeme
Wed May 30, 2007 2:34 pm
variational NEB

Last post by graeme « Tue May 22, 2007 1:46 am
Replies: 1
by aakbarz » Tue May 22, 2007 12:00 am

1 Replies

54303 Views

Last post by graeme
Tue May 22, 2007 1:46 am
Is it a saddle points???

Last post by andri « Thu May 17, 2007 5:28 pm
Replies: 3
by langes » Wed May 16, 2007 3:19 am

3 Replies

49577 Views

Last post by andri
Thu May 17, 2007 5:28 pm
Problem with the EDIFFG parameter

Last post by phil « Tue May 15, 2007 9:28 am
Replies: 2
by phil » Mon May 14, 2007 12:21 pm

2 Replies

9518 Views

Last post by phil
Tue May 15, 2007 9:28 am
Questions about NEB

Last post by graeme « Tue May 15, 2007 5:01 am
Replies: 11
by Nguyen » Wed Sep 27, 2006 2:50 am

11 Replies

210435 Views

Last post by graeme
Tue May 15, 2007 5:01 am
post-analysis of dimer job!

Last post by graeme « Fri May 11, 2007 2:31 am
Replies: 5
by langes » Wed May 09, 2007 1:10 pm

5 Replies

64858 Views

Last post by graeme
Fri May 11, 2007 2:31 am
Definiation of Extrema in "exts.dat"

Last post by graeme « Thu May 10, 2007 3:14 am
Replies: 3
by jameschen » Thu May 10, 2007 1:27 am

3 Replies

10034 Views

Last post by graeme
Thu May 10, 2007 3:14 am
How to use "nebmake.pl"?

Last post by jameschen « Thu May 10, 2007 1:10 am
Replies: 1
by yong » Wed May 09, 2007 3:19 am

1 Replies

8852 Views

Last post by jameschen
Thu May 10, 2007 1:10 am
Best way to run dimer in Vasp?

Last post by buber « Mon May 07, 2007 4:44 pm
Replies: 9
by buber » Wed May 02, 2007 6:14 pm

9 Replies

167703 Views

Last post by buber
Mon May 07, 2007 4:44 pm
NEB analysis, convergence?

Last post by andri « Thu Apr 26, 2007 8:22 pm
Replies: 6
by aakbarz » Mon Apr 23, 2007 6:58 pm

6 Replies

133973 Views

Last post by andri
Thu Apr 26, 2007 8:22 pm
differences in ionic calculation

Last post by graeme « Tue Apr 17, 2007 3:29 pm
Replies: 1
by boy7478 » Tue Apr 17, 2007 9:42 am

1 Replies

32908 Views

Last post by graeme
Tue Apr 17, 2007 3:29 pm
compile vasp with new neb code

Last post by boy7478 « Mon Apr 16, 2007 11:03 am
Replies: 5
by boy7478 » Wed Apr 11, 2007 1:22 pm

5 Replies

67713 Views

Last post by boy7478
Mon Apr 16, 2007 11:03 am
How to get the reaction rate?

Last post by graeme « Wed Apr 11, 2007 1:48 am
Replies: 5
by hlzya » Wed Mar 21, 2007 4:12 am

5 Replies

104204 Views

Last post by graeme
Wed Apr 11, 2007 1:48 am
script vef.pl can't show the force and energy of vasp 4.6.31

Last post by hlzya « Tue Apr 10, 2007 8:34 am
Replies: 4
by hlzya » Tue Apr 10, 2007 5:23 am

4 Replies

104488 Views

Last post by hlzya
Tue Apr 10, 2007 8:34 am
Post-analysis of a NEB calculation

Last post by graeme « Sun Apr 08, 2007 6:03 am
Replies: 3
by jameschen » Sun Apr 08, 2007 1:38 am

3 Replies

11195 Views

Last post by graeme
Sun Apr 08, 2007 6:03 am

New Topic

1086 topics

Page 20 of 22
- Jump to page:
Previous
1
…
18
19
20
21
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