Useful scripts: Difference between revisions
Jump to navigation
Jump to search
No edit summary |
No edit summary |
||
| Line 3: | Line 3: | ||
[[loop.s]] | [[loop.s]] | ||
How to start a database (setup and | How to start a database (setup and submit commands): | ||
[[setandsubmit.s]] | [[setandsubmit.s]] | ||
Revision as of 10:57, 2 August 2007
How to calculate the cell parameters:
How to start a database (setup and submit 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