Useful scripts: Difference between revisions

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How to calculate the cell parameters:
go back to [[Main Page]], [[Computational Resources]], [[Chemistry & More]], [[Computational Codes]], [[VASP]]


[[loop.s]]
TEKLA2 [[SENDING CALCULATIONS]]
 
How to start a database (setup and submit commands):
 
[[setandsubmit.s]]
 
which needs de following auxiliar file:
 
[[script.s]]
 
How to remove a set of files from the queue:
 
[[annihilator.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

Latest revision as of 14:10, 28 June 2010

go back to Main Page, Computational Resources, Chemistry & More, Computational Codes, VASP

TEKLA2 SENDING CALCULATIONS

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