CBD/SF-TDDFT/blyp/q_chem
2021-02-03 22:00:21 +01:00

12 lines
182 B
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Executable File

#!/bin/bash
#SBATCH --job-name=SF-BLYP
#SBATCH --nodes=1
#SBATCH -n 8
#SBATCH -p q-chem
#g09 cbutadiene_opt.com
qchem AVQZ/CBD_sf_td_blyp_avqz.inp AVQZ/CBD_sf_td_blyp_avqz.log