2021-03-15 14:30:41 +01:00
|
|
|
#!/bin/bash
|
|
|
|
|
#SBATCH --job-name=EOM-SF-CCSD
|
|
|
|
|
#SBATCH --nodes=1
|
2021-03-30 07:49:22 +02:00
|
|
|
#SBATCH -n 8
|
2021-03-15 14:30:41 +01:00
|
|
|
#SBATCH -p q-chem
|
2021-03-30 07:49:22 +02:00
|
|
|
#SBATCH --mem=20000
|
2021-03-15 14:30:41 +01:00
|
|
|
|
|
|
|
|
#g09 cbutadiene_opt.com
|
|
|
|
|
|
2021-03-30 07:49:22 +02:00
|
|
|
qchem AVTZ/CBD_eom_sf_ccsd_avtz.inp AVTZ/CBD_eom_sf_ccsd_avtz.log
|
2021-03-15 14:30:41 +01:00
|
|
|
|
|
|
|
|
|
