wanpb.x

#!/usr/bin/env python3
import argparse
from wanPB.hamiltonian import *
import pybinding as pb
import time

starttime = time.perf_counter()
print("Starting calculation at ", end='')
print(time.strftime("%H:%M:%S on %a %d %b %Y \n"))

# Command line praser
#----------------------------
parser = argparse.ArgumentParser(description="A script to convert Hamiltonian generated by Wannier90 to pybinding's format.")

parser.add_argument("--seedname", action="store", default="wannier90", dest="seedname",
                    help="Seedname of Wannier90's outputs?. (Default=wannier90)")

prm = parser.parse_args()

lat = gen_lat(seedname=prm.seedname)
pb.save(lat,prm.seedname+".pbz")

endtime = time.perf_counter()
runtime = endtime-starttime
print("\nEnd of calculation. ", end='')
print("Program was running for %.2f seconds." % runtime)