Useful scripts: Difference between revisions
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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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[[setandsubmit.s]] | [[setandsubmit.s]] | ||
wich need de following auxiliar file: | |||
[[script.s]] | |||
How to remove a set of files from the queue: | How to remove a set of files from the queue: | ||
Revision as of 15:04, 1 August 2007
How to calculate the cell parameters:
How to start a database (setup and submitt commands):
wich need de following auxiliar file:
How to remove a set of files from the queue:
How to convert a collection of CONTCAR/POSCAR file into .xcrysden format:
How to start CI-NEB and other scripts by Uberuaga:
/home/iciq08/iciq08897/tools