Siesta 2

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Siesta 2 (Spanish Initiative for Electronic Simulations with Thousands of Atoms) is currently available on the dell cluster prometheus. See the Siesta home page to learn more about this package.


log on to prometheus.rit.albany.edu

You should have a directory created that contains the necessary input files

example

$cd 64si

$ls 

64si.pdf
si.psf

$The following command will execute the siesta program 

siesta < 64si.pdf | tee 64si.out

This will result in the following files to be created 

64sih.DM   
64sih.XV    
INPUT_TMP
KB.L2.1.Si
out.fdf
Si.ion.xml 
VNA.Si
64sih.alloc
64sih.FA
64si.out  
KB.L0.1.Si
ORB.S1.1.Si
RED_VLOCAL.Si 
Si.POT.CONF
WALLTIME 
64sih.ANI
64sih.LWF 
CHLOCAL.Si 
KB.L1.1.Si 
ORB.S2.1.Si 
Si.ion
Retrieved from "http://www.rit.albany.edu/wiki/Siesta_2"
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