#!/bin/sh
set -x

# Biorthogonal transformation

$GRASP/bin/biotra3 > out_biotra_oxygen_3d <<EOF
y
y
oxygen_3d
oxygen_3d
y
y
EOF

# Then the transition calculations

$GRASP/bin/bioscl3 > out_bioscl_oxygen_3d <<EOF
y
n
oxygen_3d
oxygen_3d
E2,M1
n
n
EOF


