Useful scripts

How to calculate the cell parameters:

loop.s

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

Visualize vibrations with MOLDEN:

freq.s