CBD/D4h/spin-flip/EOM-SF-CC_2_3/q_chem

12 lines
190 B
Plaintext
Raw Normal View History

2021-03-15 14:30:41 +01:00
#!/bin/bash
#SBATCH --job-name=EOM-CC(2,3)
#SBATCH --nodes=1
#SBATCH -n 4
#SBATCH -p q-chem
#g09 cbutadiene_opt.com
qchem AVTZ/CBD_eom_sf_cc2_3_avtz.inp AVTZ/CBD_eom_sf_cc2_3_avtz.log