CBD/D4h/spin-flip/SF-TDDFT/PBE0/AVDZ/q_chem
2021-04-15 09:12:36 +02:00

8 lines
162 B
Bash

#!/bin/bash
#SBATCH --job-name=SF-PBE0
#SBATCH --nodes=1
#SBATCH -n 8
#SBATCH -p q-chem
#SBATCH --mem=20000
qchem CBD_sf_td_PBE0_avdz.inp CBD_sf_td_PBE0_avdz.log