UT theoretical chemistry code forum

Sorry for my last poster, I already found the method to sovle this problem in this forum.
See viewtopic.php?f=2&t=964

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 ...

Dear colleagues,

who knows how to view the movie.xyz file given out by nebresults.pl?

Thks.

Yes, I try it once more and it works.

Thank you for your help and additional suggestions.

Thank you, andri.

Hi, andri,

I have sent all NEB run files without WAVECARs to you.

Dear andri,

I have change the nebconverge.pl script, but it doesn't works and the problem still remains.

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 ...

Yes, I used the latest vtsttools downloaded from this website.

Running vef.pl in each subdirectory give me following information:

"grep: OUTCAR: No such file or directory"
"grep: OUTCAR: No such file or directory"

what is happening?

Thks.

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 ...