from __future__ import print_function
from sys import argv
import matplotlib.pyplot as plt
from ase.dft import STM
from gpaw import restart
filename = argv[1]
z0 = 8
bias = 1.0
atoms, calc = restart(filename, txt=None)
stm = STM(atoms, symmetries=[0, 1, 2])
c = stm.get_averaged_current(bias, z0)
print('Average current at z=%f: %f' % (z0, c))
# Get 2d array of constant current heights:
x, y, h = stm.scan(bias, c)
print('Min: %.2f Ang, Max: %.2f Ang' % (h.min(), h.max()))
plt.contourf(x, y, h, 40)
plt.hot()
plt.colorbar()
plt.show()
from ase import Atoms
from ase.dft import STM
from gpaw import GPAW
calc = GPAW('Al100.gpw')
a0 = calc.get_atoms()
stm = STM(calc, [0, 1, 2])
c = stm.get_averaged_current(2.5)
h = stm.scan(c)
print h[8]-h[:, 8]
from sys import argv
import pylab as plt
from ase.dft import STM
from gpaw import restart
filename = argv[1]
if len(argv) > 2:
z = float(argv[2])
else:
z = 2.5
atoms, calc = restart(filename, txt=None)
stm = STM(atoms, symmetries=[0, 1, 2])
c = stm.get_averaged_current(z)
# Get 2d array of constant current heights:
h = stm.scan(c)
print u'Min: %.2f Ang, Max: %.2f Ang' % (h.min(), h.max())
plt.contourf(h, 40)
plt.hot()
plt.colorbar()
plt.show()
