CBD/D4h/spin-flip/SF-TDDFT/BLYP/AVDZ/q_chem
2021-03-22 07:08:03 +01:00

8 lines
162 B
Bash

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