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- awk '
- BEGIN { min=1000 ; jump_energy="INIT" }
- function abs(v) {return v < 0 ? -v : v}
- NR==6 {fermi_energy=$4}
- NR>6
- {
- jump_energy != 0 {
- this_diff=abs(fermi_energy-$1)
- this_diff < min {
- min=this_diff
- energy_level=0
- jump_energy=0
- getline
- }
- }
- jump_energy == 0 && $2 != "0.0000E+00" {
- energy_level=$1
- jump_energy=$2
- }
- END {
- printf " Fermi Energy: %s\n Energy Level: %s\n Jump Energy: %s" fermi_energy energy_level jump_energy
- }
- }
- }'
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