Sorry for my last poster, I already found the method to sovle this problem in this forum.
See viewtopic.php?f=2&t=964
Search found 9 matches
- Wed May 30, 2012 8:48 am
- Forum: VTSTTools
- Topic: VTST 2.x code updates
- Replies: 30
- Views: 395862
- Wed May 30, 2012 6:12 am
- Forum: VTSTTools
- Topic: VTST 2.x code updates
- Replies: 30
- Views: 395862
Re: VTST 2.0 code update
I have a trouble to incorporate TSTS 2.04b into newest VASP code as following, dynconstr.f90(164): error #6404: This name does not have a type, and must have an explicit type. [DIR_APP] OPEN(UNIT=g_io%STRUCTINPUT,FILE=DIR_APP(1:DIR_LEN)//'HILLSPOT',STATUS='UNKNOWN') ---------------------------------...
- Mon Aug 13, 2007 3:27 am
- Forum: VTSTTools
- Topic: How to view the file movie.xyz
- Replies: 1
- Views: 7580
How to view the file movie.xyz
Dear colleagues,
who knows how to view the movie.xyz file given out by nebresults.pl?
Thks.
who knows how to view the movie.xyz file given out by nebresults.pl?
Thks.
- Thu Jun 14, 2007 2:14 am
- Forum: VTSTTools
- Topic: Questions about nebresult.pl
- Replies: 10
- Views: 25287
- Wed Jun 13, 2007 12:44 am
- Forum: VTSTTools
- Topic: Questions about nebresult.pl
- Replies: 10
- Views: 25287
- Tue Jun 12, 2007 12:51 pm
- Forum: VTSTTools
- Topic: Questions about nebresult.pl
- Replies: 10
- Views: 25287
- Sat Jun 09, 2007 2:29 pm
- Forum: VTSTTools
- Topic: Questions about nebresult.pl
- Replies: 10
- Views: 25287
Sorry, I made a mistake. In each subdirectory, vef.pl works and give out a fe.dat file as following 0 1.14866400 -266.112272 0 1 1.15193500 -266.141583 -0.029311 2 1.15533100 -266.200012 -0.08774 3 1.15132200 -266.287043 -0.174771 4 1.13457000 -266.400897 -0.288625 5 1.08159600 -266.538917 -0.426645...
- Sat Jun 09, 2007 4:02 am
- Forum: VTSTTools
- Topic: Questions about nebresult.pl
- Replies: 10
- Views: 25287
- Fri Jun 08, 2007 5:43 am
- Forum: VTSTTools
- Topic: Questions about nebresult.pl
- Replies: 10
- Views: 25287
Questions about nebresult.pl
Dear Graeme: Here are two questions about the Climbing NEB calculation and analysis. 1)The example INCAR file given in this website show that the NEB convergence criteria take EDIFFG=-0.001, I think this value is often too small for large slab or cluster system, in my (12x8x21 supercell size) slab s...