spin-polarized density functional theory simulations for quantum dots


(base) ls qdot.py  analysis.py
(base) vi qdot.py
(base) qsub CSA_SOLDIER.pbs


cat CSA_SOLDIER.pbs
#!/bin/bash
#SBATCH --partition=g8
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=1
##
#SBATCH -J "qdot0"
#SBATCH -o STDOUT.%j.out
#SBATCH -e STDERR.%j.err
#SBATCH -t 10-24:00:00  # The job can take at most 10 days 24 wall-clock hours.

#module purge
#module load iomkl


python qdot.py > output

 
KRISS, December 24, 2024 
In-Ho Lee