CBD/D4h/spin-flip/SF-TDDFT/wB97X-V/AVDZ/q_chem
2021-04-15 09:12:36 +02:00

8 lines
171 B
Bash

#!/bin/bash
#SBATCH --job-name=SF-wB97X-V
#SBATCH --nodes=1
#SBATCH -n 4
#SBATCH -p q-chem
#SBATCH --mem=20000
qchem CBD_sf_td_wB97X-V_avdz.inp CBD_sf_td_wB97X-V_avdz.log