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NEB caculation broke down without any error information

Last post by lgxyz « Sun Sep 12, 2010 2:27 am
Posted in VTSTTools

by lgxyz » Sun Sep 12, 2010 2:27 am » in VTSTTools

0 Replies

5590 Views

Last post by lgxyz
Sun Sep 12, 2010 2:27 am
Generation of Surfaces from Bulk Crystal Structure

Last post by Phani Kanth « Sat Aug 14, 2010 5:37 am
Posted in VTSTTools

by Phani Kanth » Sat Aug 14, 2010 5:37 am » in VTSTTools

0 Replies

5632 Views

Last post by Phani Kanth
Sat Aug 14, 2010 5:37 am
Problem about NEB interruption

Last post by leon_qian « Sat Aug 07, 2010 1:49 am
Posted in VTSTTools

by leon_qian » Sat Aug 07, 2010 1:49 am » in VTSTTools

0 Replies

5481 Views

Last post by leon_qian
Sat Aug 07, 2010 1:49 am
force gradually increase in NEB run

Last post by gump_813 « Fri Sep 18, 2009 11:12 pm
Posted in VTSTTools

by gump_813 » Fri Sep 18, 2009 11:12 pm » in VTSTTools

0 Replies

5718 Views

Last post by gump_813
Fri Sep 18, 2009 11:12 pm
Transition state with electric field

Last post by ftb « Thu Sep 10, 2009 3:23 pm
Posted in VTSTTools

by ftb » Thu Sep 10, 2009 3:23 pm » in VTSTTools

0 Replies

5590 Views

Last post by ftb
Thu Sep 10, 2009 3:23 pm
Charge Density Difference plotting

Last post by gpkmohan « Thu Sep 03, 2009 9:53 am
Posted in VTSTTools

by gpkmohan » Thu Sep 03, 2009 9:53 am » in VTSTTools

0 Replies

11119 Views

Last post by gpkmohan
Thu Sep 03, 2009 9:53 am
about gold surfaces optimization

Last post by Cesar « Wed Aug 05, 2009 10:09 pm
Posted in tsase

by Cesar » Wed Aug 05, 2009 10:09 pm » in tsase

0 Replies

15794 Views

Last post by Cesar
Wed Aug 05, 2009 10:09 pm
Problem runing Dimer

Last post by graeme « Tue Jul 28, 2009 2:23 pm
Posted in VTSTTools

by graeme » Tue Jul 28, 2009 2:23 pm » in VTSTTools

0 Replies

4780 Views

Last post by graeme
Tue Jul 28, 2009 2:23 pm
Problem with dynamical matrix

Last post by graeme « Thu Jul 23, 2009 3:52 pm
Posted in VTSTTools

by graeme » Thu Jul 23, 2009 3:52 pm » in VTSTTools

0 Replies

4911 Views

Last post by graeme
Thu Jul 23, 2009 3:52 pm
about lanczos again

Last post by hakuna « Thu May 28, 2009 1:00 pm
Posted in VTSTTools

by hakuna » Thu May 28, 2009 1:00 pm » in VTSTTools

0 Replies

5438 Views

Last post by hakuna
Thu May 28, 2009 1:00 pm
coop scripts

Last post by hakuna « Thu May 28, 2009 12:56 pm
Posted in VTSTTools

by hakuna » Thu May 28, 2009 12:56 pm » in VTSTTools

0 Replies

5351 Views

Last post by hakuna
Thu May 28, 2009 12:56 pm
a problem with using akmc.pl

Last post by graeme « Wed May 27, 2009 2:58 pm
Posted in VTSTTools

by graeme » Wed May 27, 2009 2:58 pm » in VTSTTools

0 Replies

5360 Views

Last post by graeme
Wed May 27, 2009 2:58 pm
Can AKMC used to particles diffused on the liquid surface?

Last post by graeme « Thu May 21, 2009 4:14 pm
Posted in VTSTTools

by graeme » Thu May 21, 2009 4:14 pm » in VTSTTools

0 Replies

5136 Views

Last post by graeme
Thu May 21, 2009 4:14 pm
Bader and .cube files of non-orthogonal cells

Last post by ymantz « Fri Mar 06, 2009 11:10 pm
Posted in Bader

by ymantz » Fri Mar 06, 2009 11:10 pm » in Bader

0 Replies

8062 Views

Last post by ymantz
Fri Mar 06, 2009 11:10 pm
Who can send me a small sample of CI_NEB calculation?

Last post by LiangZhang « Sat Feb 21, 2009 1:19 am
Posted in VTSTTools

by LiangZhang » Sat Feb 21, 2009 1:19 am » in VTSTTools

0 Replies

5297 Views

Last post by LiangZhang
Sat Feb 21, 2009 1:19 am
NEB result strange

Last post by victory2401 « Thu Jan 08, 2009 3:32 am
Posted in VTSTTools

by victory2401 » Thu Jan 08, 2009 3:32 am » in VTSTTools

0 Replies

6044 Views

Last post by victory2401
Thu Jan 08, 2009 3:32 am
about NEB convergence

Last post by lanjh « Thu Jan 03, 2008 8:40 am
Posted in VTSTTools

by lanjh » Thu Jan 03, 2008 8:40 am » in VTSTTools

0 Replies

5666 Views

Last post by lanjh
Thu Jan 03, 2008 8:40 am
Please ignore the question

Last post by bai « Wed Oct 10, 2007 7:45 am
Posted in Bader

by bai » Wed Oct 10, 2007 7:45 am » in Bader

0 Replies

5885 Views

Last post by bai
Wed Oct 10, 2007 7:45 am
How to edit main.F

Last post by bai « Wed Oct 10, 2007 5:30 am
Posted in Bader

by bai » Wed Oct 10, 2007 5:30 am » in Bader

0 Replies

5508 Views

Last post by bai
Wed Oct 10, 2007 5:30 am
new scprits for doslanalyze.pl and doslplot.pl

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

by Wenjie » Sat Aug 04, 2007 3:29 am » in VTSTTools

0 Replies

5772 Views

Last post by Wenjie
Sat Aug 04, 2007 3:29 am
Problem of energy gradiance still exists

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

by staar » Wed Jun 20, 2007 7:47 am » in VTSTTools

0 Replies

5785 Views

Last post by staar
Wed Jun 20, 2007 7:47 am
propositions for new versions

Last post by vozny « Thu Mar 01, 2007 3:44 am
Posted in Bader

by vozny » Thu Mar 01, 2007 3:44 am » in Bader

0 Replies

6469 Views

Last post by vozny
Thu Mar 01, 2007 3:44 am
Why flow in neb.F can not proceed in my calculations?

Last post by phydig « Sat Dec 09, 2006 10:46 am
Posted in VTSTTools

by phydig » Sat Dec 09, 2006 10:46 am » in VTSTTools

0 Replies

5661 Views

Last post by phydig
Sat Dec 09, 2006 10:46 am
Bader volume to RWIGS in VASP

Last post by phtobias « Wed Jun 28, 2006 9:13 am
Posted in Bader

by phtobias » Wed Jun 28, 2006 9:13 am » in Bader

0 Replies

10239 Views

Last post by phtobias
Wed Jun 28, 2006 9:13 am
updated diffcon.pl

Last post by graeme « Sat Jun 03, 2006 3:20 am
Posted in VTSTTools

by graeme » Sat Jun 03, 2006 3:20 am » in VTSTTools

0 Replies

6136 Views

Last post by graeme
Sat Jun 03, 2006 3:20 am
Bader source updated

Last post by andri « Thu Aug 04, 2005 5:29 pm
Posted in Bader

by andri » Thu Aug 04, 2005 5:29 pm » in Bader

0 Replies

7180 Views

Last post by andri
Thu Aug 04, 2005 5:29 pm
Web page and tar.gz file updates

Last post by graeme « Tue May 24, 2005 2:34 am
Posted in VTSTTools

by graeme » Tue May 24, 2005 2:34 am » in VTSTTools

0 Replies

7096 Views

Last post by graeme
Tue May 24, 2005 2:34 am
vaspview binary for tiger

Last post by graeme « Wed May 18, 2005 7:52 pm
Posted in Bader

by graeme » Wed May 18, 2005 7:52 pm » in Bader

0 Replies

8288 Views

Last post by graeme
Wed May 18, 2005 7:52 pm
Updated lanczos.F

Last post by andri « Mon May 16, 2005 8:03 pm
Posted in VTSTTools

by andri » Mon May 16, 2005 8:03 pm » in VTSTTools

0 Replies

6523 Views

Last post by andri
Mon May 16, 2005 8:03 pm
What is this project?

Last post by graeme « Sun May 15, 2005 12:01 am
Posted in tsase

by graeme » Sun May 15, 2005 12:01 am » in tsase

0 Replies

14881 Views

Last post by graeme
Sun May 15, 2005 12:01 am

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