#! /bin/bash
cd $PBS_O_WORKDIR

Kxs="0.01 0.03 0.06 0.09"

for Kx in $Kxs; do
    name=Kx$Kx
    echo " dirname = " $name
    mkdir $name
    
    cp surf.bas $name
    cp species.dat $name
    
    sed "s/BBB/$Kx/g"  SHTM_3D.ini-0 > SHTM_3D.ini
    ../code/SHTM_3D.x >OUT3D 2>ERR3D
    mv *.xsf $name
    mv OUT3D $name
    mv ERR3D $name
    mv SHTM_3D.ini $name
done

