from gpaw.transport.analysor import Transport_Plotter
import numpy as np
from pylab import *
import sys
plotter = Transport_Plotter()
plotter.plot_setup()
if len(sys.argv) <= 2:
if len(sys.argv[1]) <= 2:
nt = plotter.get_info('nty', int(sys.argv[1]), 0)
else:
tmp = sys.argv[1].split('-')
sam = int(tmp[0])
ref = int(tmp[1])
nt = plotter.get_info('nty', sam, 0) - plotter.get_info('nty', ref, 0)
else:
nt = plotter.get_info('nty', int(sys.argv[1]), int(sys.argv[2]))
matshow((nt[0]))
colorbar()
xlabel('Transport Direction')
ylabel('Pseudo Density')
show()
from gpaw.transport.analysor import Transport_Plotter
import numpy as np
import sys
from gpaw import GPAW
from pylab import *
plotter=Transport_Plotter(0)
plotter.read_overhead()
import vtk
from ase.visualize.vtk.atoms import vtkAtoms
usewx = False
try:
import wx
usewx = True
except ImportError:
pass
if usewx:
from vtk.wx.wxVTKRenderWindow import wxVTKRenderWindow
app = wx.PySimpleApp()
frame = wx.Frame(None, -1, 'wxVTKRenderWindow', size=(800,600))
widget = wxVTKRenderWindow(frame, -1)
win = widget.GetRenderWindow()
ren = vtk.vtkRenderer()
win.AddRenderer(ren)
else:
ren = vtk.vtkRenderer()
win = vtk.vtkRenderWindow()
win.AddRenderer(ren)
win.SetSize(800,600)
iren = vtk.vtkRenderWindowInteractor()
iren.SetRenderWindow(win)
from gpaw.transport.analysor import Transport_Plotter
import numpy as np
from pylab import *
import sys
if "*" in sys.argv[1]:
fd = 0
nbias = int(sys.argv[1].split("*")[0])
else:
fd = 1
nbias = int(sys.argv[1])
plotter = Transport_Plotter(fd)
dense_level = 1
plotter.plot_setup()
if len(sys.argv) > 1:
bias, current = plotter.iv(nbias)
else:
bias, current = plotter.iv()
bias = np.abs(bias)
plot(bias, current, "r-o")
if dense_level > 1:
from scipy import interpolate
tck = interpolate.splrep(bias, current, s=0)
numb = len(bias)
newbias = np.linspace(bias[0], bias[-1], numb * (dense_level))
newcurrent = interpolate.splev(newbias, tck, der=0)
bias = newbias
from gpaw.transport.analysor import Transport_Plotter
import numpy as np
import sys
from gpaw import GPAW
from pylab import *
plotter = Transport_Plotter(0)
plotter.read_overhead()
import vtk
from ase.visualize.vtk.atoms import vtkAtoms
usewx = False
try:
import wx
usewx = True
except ImportError:
pass
if usewx:
from vtk.wx.wxVTKRenderWindow import wxVTKRenderWindow
app = wx.PySimpleApp()
frame = wx.Frame(None, -1, 'wxVTKRenderWindow', size=(800, 600))
widget = wxVTKRenderWindow(frame, -1)
win = widget.GetRenderWindow()
ren = vtk.vtkRenderer()
win.AddRenderer(ren)
else:
ren = vtk.vtkRenderer()
win = vtk.vtkRenderWindow()
win.AddRenderer(ren)
win.SetSize(800, 600)
iren = vtk.vtkRenderWindowInteractor()
iren.SetRenderWindow(win)
from gpaw.transport.analysor import Transport_Plotter
import numpy as np
from pylab import *
import sys
if '*' in sys.argv[1]:
fd = 0
nbias = int(sys.argv[1].split('*')[0])
else:
fd = 1
nbias = int(sys.argv[1])
plotter = Transport_Plotter(fd)
dense_level = 1
plotter.plot_setup()
if len(sys.argv) > 1:
bias, current = plotter.iv(nbias)
else:
bias, current = plotter.iv()
bias = np.abs(bias)
plot(bias, current, 'r-o')
if dense_level > 1:
from scipy import interpolate
tck = interpolate.splrep(bias, current, s=0)
numb = len(bias)
newbias = np.linspace(bias[0], bias[-1], numb * (dense_level))
newcurrent = interpolate.splev(newbias, tck, der=0)
bias = newbias
current = newcurrent
plot(np.abs(bias), current, 'b-o')
from gpaw.transport.analysor import Transport_Plotter
import numpy as np
from pylab import *
from ase import Hartree
import sys
plotter = Transport_Plotter()
plotter.plot_setup()
if len(sys.argv)<= 2:
if len(sys.argv[1]) <= 2:
vt = plotter.get_info('vt', int(sys.argv[1]), 0)
else:
tmp = sys.argv[1].split('-')
sam = int(tmp[0])
ref = int(tmp[1])
vt = plotter.get_info('vt', sam, 0) - plotter.get_info('vt', ref, 0)
else:
vt = plotter.get_info('vt', int(sys.argv[1]), int(sys.argv[2]))
plot(vt[0]*Hartree, 'b-o')
xlabel('Transport Direction')
ylabel('Effective Potential(eV)')
show()
from gpaw.transport.analysor import Transport_Plotter
import numpy as np
from pylab import *
import sys
from ase.data import chemical_symbols
if "*" in sys.argv[1]:
fd = 0
bias_step = sys.argv[1].split("*")[0]
else:
fd = 1
bias_step = sys.argv[1]
orbital_type = None
plotter = Transport_Plotter(fd)
plotter.plot_setup()
plotter.read_overhead()
legends = []
flags = ["b-", "r-", "g-", "c-", "y-", "m-", "k-"]
energies = np.linspace(-5, 5, 201)
for i, item in enumerate(sys.argv[2:]):
group, orbital = item.split("_")
elements = group.split("-")
if len(elements) == 1 and elements[0] == "A":
atom_indices = None
else:
atom_indices = []
for element in elements:
from gpaw.transport.analysor import Transport_Plotter
import numpy as np
import sys
from pylab import *
if '*' in sys.argv[1]:
fd=0
bias_step = int(sys.argv[1].split('*')[0])
else:
fd=1
bias_step = int(sys.argv[1])
plotter=Transport_Plotter(fd)
plotter.plot_setup()
dos = plotter.dos(bias_step)
ee=np.linspace(-5,5,201)
plot(ee, dos, 'b-o')
dense_level=1
if dense_level>1:
from scipy import interpolate
tck = interpolate.splrep(ee, dos, s=0)
numb = len(ee)
newee = np.linspace(ee[0], ee[-1], numb * (dense_level))
newtc = interpolate.splev(newee, tck, der=0)
ee = newee
dos = newdos
plot(ee, dos, 'r-o')
eye = np.zeros([10, 1]) + 1
bias = plotter.get_info('bias', bias_step)
f1 = bias[0] * eye
from gpaw.transport.analysor import Transport_Plotter
from pylab import *
plotter = Transport_Plotter('bias', 'Pt_H2_nsc.dat')
plotter.set_ele_steps(None, 0)
plotter.plot_ele_step_info('ham', [0], 0, 0)
from gpaw.transport.analysor import Transport_Plotter
import numpy as np
from pylab import *
import sys
plotter = Transport_Plotter()
plotter.plot_setup()
if len(sys.argv)<=2:
if len(sys.argv[1]) <= 2:
nt = plotter.get_info('nty', int(sys.argv[1]), 0)
else:
tmp = sys.argv[1].split('-')
sam = int(tmp[0])
ref = int(tmp[1])
nt = plotter.get_info('nty', sam, 0) - plotter.get_info('nty', ref, 0)
else:
nt = plotter.get_info('nty', int(sys.argv[1]), int(sys.argv[2]))
matshow((nt[0]))
colorbar()
xlabel('Transport Direction')
ylabel('Pseudo Density')
show()
from gpaw.transport.analysor import Transport_Plotter
import numpy as np
from pylab import *
import sys
from ase.data import chemical_symbols
fd=0
bias_steps = sys.argv[1]
orbital_type = None
plotter = Transport_Plotter(fd)
plotter.plot_setup()
plotter.read_overhead()
legends = []
flags = ['b-o', 'r-o', 'g-o' ,'c-o', 'y-o', 'm-o', 'k-o']
for i, item in enumerate(sys.argv[2:]):
group, orbital = item.split('_')
elements = group.split('-')
if len(elements) == 1 and elements[0] == 'A':
atom_indices = None
else:
atom_indices = []
for element in elements:
big = len(plotter.atoms)
small = -1
equal = None
x, y, z = 999, 999, 999
if ']' in element:
tmp = element.split(']')
from gpaw.transport.analysor import Transport_Plotter
import numpy as np
from pylab import *
import sys
from ase.data import chemical_symbols
if '*' in sys.argv[1]:
fd = 0
bias_step = sys.argv[1].split('*')[0]
else:
fd = 1
bias_step = sys.argv[1]
orbital_type = None
plotter = Transport_Plotter(fd)
plotter.plot_setup()
plotter.read_overhead()
legends = []
flags = ['b-', 'r-', 'g-', 'c-', 'y-', 'm-', 'k-']
energies = np.linspace(-5, 5, 201)
for i, item in enumerate(sys.argv[2:]):
group, orbital = item.split('_')
elements = group.split('-')
if len(elements) == 1 and elements[0] == 'A':
atom_indices = None
else:
atom_indices = []
for element in elements:
big = len(plotter.atoms)
from gpaw.transport.analysor import Transport_Plotter
import numpy as np
import sys
from pylab import *
if "*" in sys.argv[1]:
fd = 0
bias_step = int(sys.argv[1].split("*")[0])
else:
fd = 1
bias_step = int(sys.argv[1])
plotter = Transport_Plotter(fd)
plotter.plot_setup()
tc = plotter.tc(bias_step)
ee = np.linspace(-5, 5, 201)
plot(ee, tc, "b-o")
dense_level = 1
if dense_level > 1:
from scipy import interpolate
tck = interpolate.splrep(ee, tc, s=0)
numb = len(ee)
newee = np.linspace(ee[0], ee[-1], numb * (dense_level))
newtc = interpolate.splev(newee, tck, der=0)
ee = newee
tc = newtc
plot(ee, tc, "r-o")
eye = np.zeros([10, 1]) + 1
bias = plotter.get_info("bias", bias_step)
