CBD/D4h/spin-flip/SF-TDDFT/M06-2X/AVTZ/q_chem
2021-04-15 09:12:36 +02:00

8 lines
168 B
Bash

#!/bin/bash
#SBATCH --job-name=SF-M06-2X
#SBATCH --nodes=1
#SBATCH -n 4
#SBATCH -p q-chem
#SBATCH --mem=20000
qchem CBD_sf_td_M06-2X_avtz.inp CBD_sf_td_M06-2X_avtz.log