1#!/usr/local/bin/bash 2 3echo "3" #number of checks 4 5awk '/IonicMinimize: Iter/ { E = $5 } END { print E, "-17.2681 0.0001 Vacuum energy [Eh]" }' vacuum.out 6awk '/IonicMinimize: Iter/ { E = $5 } END { print E, "-17.2793 0.0001 LinearPCM energy [Eh]" }' LinearPCM.out 7awk '/IonicMinimize: Iter/ { E = $5 } END { print E, "-17.2807 0.0001 CANDLE energy [Eh]" }' CANDLE.out 8