CBD/SF-TDDFT/B2PLYP/6-31+G_d/q_chem
2021-03-02 16:40:19 +01:00

7 lines
155 B
Bash

#!/bin/bash
#SBATCH --job-name=SF-B2PLYP
#SBATCH --nodes=1
#SBATCH -n 16
#SBATCH -p q-chem
qchem CBD_sf_td_B2PLYP_6_31G_d.inp CBD_sf_td_B2PLYP_6_31G_d.log