CBD/EOM-SF-CCSD/q_chem

12 lines
188 B
Plaintext
Raw Normal View History

2021-02-08 15:47:19 +01:00
#!/bin/bash
#SBATCH --job-name=EOM-SF-CCSD
#SBATCH --nodes=1
#SBATCH -n 4
#SBATCH -p q-chem
#g09 cbutadiene_opt.com
qchem AVTZ/CBD_eom_sf_ccsd_avtz.inp AVTZ/CBD_eom_sf_ccsd_avtz.log