#!/bin/sh

cp $AMSHOME/examples/dftb/SP_LR-TDDFTB_gradients/SP_LR-TDDFTB_gradients.plms .
cp -r $AMSHOME/examples/dftb/SP_LR-TDDFTB_gradients/molecules .
cp -r $AMSHOME/examples/dftb/SP_LR-TDDFTB_gradients/numgrad_precalc .

export NSCM=1
$AMSBIN/plams SP_LR-TDDFTB_gradients.plms