diff --git a/tools/vasp2xyz/outcar2xyz/multipleFrames-outcars2nep-exyz.sh b/tools/vasp2xyz/outcar2xyz/multipleFrames-outcars2nep-exyz.sh index 1f1c6fca6..1eb8a938a 100755 --- a/tools/vasp2xyz/outcar2xyz/multipleFrames-outcars2nep-exyz.sh +++ b/tools/vasp2xyz/outcar2xyz/multipleFrames-outcars2nep-exyz.sh @@ -41,7 +41,7 @@ for file in $(find "$read_dire" -name "OUTCAR"); do continue fi - NELM=$(grep "NELM" "$file" | awk '{print $3}' | tr -d ';') + NELM=$(grep "of ELM steps" "$file" | awk '{print $3}' | tr -d ';') actual_steps=$(grep -c "Iteration" "$file") if grep -q "aborting loop because EDIFF is reached" "$file"; then