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about neb calculation

Posted: Sun Jun 03, 2007 12:59 am
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?

Posted: Wed Jun 06, 2007 4:20 am
by andri
This has nothing to do with VTSTTools!