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#!/bin/bash
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#PBS -N Fe3GeTe2-uu
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#PBS -e error.err
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#PBS -q cola_d
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#PBS -l select=1:ncpus=20:mpiprocs=20
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cd $PBS_O_WORKDIR
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mpirun siesta < Fe3GeTe2.fdf > Fe3GeTe2.out
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