about neb calculation

Vasp transition state theory tools

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lanjh
Posts: 24
Joined: Sun Dec 24, 2006 12:59 pm

about neb calculation

Post by lanjh »

Hi, Sir~
Now I have some problems about my neb calculation. When I do it, my OUTCAR is as follows:


Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 24 trial point group operations.


The static configuration has the point symmetry C_1 .

Analysis of symmetry for dynamics (positions and initial velocities):

Subroutine DYNSYM returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 1 trial space group operations
(whereof 1 operations were pure point group operations)
and found also 1 'primitive' translations


The dynamic configuration has the point symmetry C_1 .

Analysis of constrained symmetry for selective dynamics:

Subroutine DYNSYM returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 1 trial space group operations
(whereof 1 operations were pure point group operations)
and found also 1 'primitive' translations


The constrained configuration has the point symmetry C_1 .


Is there any wrong with my POSCAR?
andri
Site Admin
Posts: 117
Joined: Tue Apr 26, 2005 6:20 am

Post by andri »

This has nothing to do with VTSTTools!
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