def plotEigenvalues(index, folder): import pyramids.io.result as dp from pyramids.io.result import getHomo eigenvalues = dp.readEigFile() x = float(folder) y = eigenvalues plotedBand = getHomo() return x, y, plotedBand
def plotEigenvalues(index,folder): import pyramids.io.result as dp from pyramids.io.result import getHomo eigenvalues = dp.readEigFile() x = float(folder) y = eigenvalues plotedBand = getHomo() return x,y,plotedBand
#!/usr/bin/python import numpy as np import matplotlib.pyplot as plt import pyramids.io.result as dP import pyramids.plot.setting as ma import pyramids.plot.PlotUtility as pu #------------------------------------------------------------------------------ exe = dP.readEigFile(filename='siestapump.EIG') eig = dP.readEigFile(filename='siesta.EIG') h**o = dP.getHomo() kpath = [] cut = [0] specialKPoints = [r'$M$', r'$\Gamma$', r'$K$', r'$\Gamma$'] for i in range(172, 8, -19): kpath.append(i) cut.append(len(kpath)) for i in range(18, 103, 17): kpath.append(i) kpath.append(i - 1) cut.append(len(kpath)) for i in range(103, 163, 20): kpath.append(i) kpath.append(i + 1) cut.append(len(kpath)) kpath = np.array(kpath) - 1 evolvingBands = range(0, h**o + 10) x = np.arange(kpath.shape[0])
import numpy as np import matplotlib.pyplot as plt import pyramids.io.result as dp from pyramids.io.fdf import tdapOptions import pyramids.plot.setting as ma #------------------------------------------------------------------------------ fig, axs = plt.subplots(1, 2, sharex=False, sharey=False, figsize=(8, 6)) SaveName = __file__.split('/')[-1].split('.')[0] h**o = dp.getHomo() time, exe = dp.getProjectedPartition() time, eigen = dp.getAdiabaticEigenvalue() print eigen.shape option = tdapOptions() import numpy as np import matplotlib.pyplot as plt import pyramids.io.result as dp import pyramids.plot.setting as ma import pyramids.plot.PlotUtility as pu import os from ase.dft.kpoints import special_paths, special_points ax = axs[1] import pyramids.plot.PlotUtility as pu pu.plotEField(ax) timeE, Efield = dp.getEField() lightScat, = ax.plot(0, Efield[0, 0], 'o') kargs = ma.getPropertyFromPosition(xlabel=r'Time', ylabel=r'EField')
#------------------------------------------------------------------------------ nCol = 2 ls = localSetting.snapshot nRow = len(ls.selectedTimeStep)/nCol fig, ax = plt.subplots(1,1,sharex=False,sharey=True,figsize=(8,6)) SaveName = __file__.split('/')[-1].split('.')[0] kpath = ls.kpath cut = ls.cut print kpath specialKPoints = ls.specialKPoints x = ls.x h**o = dP.getHomo() evolvingBands = range(0, h**o + 7) time, exe = dP.getProjectedPartition() time, eigen = dP.getAdiabaticEigenvalue() colors = ma.getColors(5,cmap='gnuplot') #for index, step in enumerate(ls.selectedTimeStep): excited = np.abs(exe[0,kpath,:] - exe[0,kpath,:]) norm = ls.norm/np.max(exe[:,kpath,:] - exe[0,kpath,:]) eigenvalue = eigen[0,kpath,:] line = [] scatter = [] for i in evolvingBands: if i < h**o: part = excited[:,i]