Useful scripts

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Revision as of 11:27, 1 August 2007 by 10.0.7.24 (talk) (New page: How to calculate the cell parameters: loop.s How to start a database (setup and submitt commands): setandsubmit.s How to remove a set of files from the queue: cancel.s Ho...)
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How to calculate the cell parameters:

loop.s

How to start a database (setup and submitt commands):

setandsubmit.s

How to remove a set of files from the queue:

cancel.s

How to convert a collection of CONTCAR/POSCAR file into .xcrysden format:

poscar2xcrysden.pl

How to start CI-NEB and other scripts by Uberuaga:

/home/iciq08/iciq08897/tools

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