mirror of https://github.com/phonopy/phonopy.git
25 lines
446 B
Bash
Executable File
25 lines
446 B
Bash
Executable File
#!/bin/bash
|
|
|
|
for i in supercell-*; do
|
|
bn=${i%.*}
|
|
num=${bn#*supercell-}
|
|
if [[ -z ${num} ]]; then
|
|
continue
|
|
fi
|
|
dir="DISP-"$num
|
|
if [[ -d $dir ]]; then
|
|
echo "Error. Directory $dir already exist."
|
|
exit 1
|
|
fi
|
|
|
|
mkdir $dir
|
|
|
|
isIDEAL=`echo $num | awk '{printf("%d", $0)}'`
|
|
if [[ isIDEAL -eq "0" ]]; then
|
|
cp polar.inp $dir
|
|
fi
|
|
|
|
cp $i $dir/positions.xyz
|
|
cp force.inp $dir
|
|
done
|