本文整理汇总了Python中ase.calculators.vasp.Vasp.get_fermi_level方法的典型用法代码示例。如果您正苦于以下问题：Python Vasp.get_fermi_level方法的具体用法？Python Vasp.get_fermi_level怎么用？Python Vasp.get_fermi_level使用的例子？那么恭喜您, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在类ase.calculators.vasp.Vasp的用法示例。
在下文中一共展示了Vasp.get_fermi_level方法的1个代码示例，这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞，您的评价将有助于系统推荐出更棒的Python代码示例。
示例1: Vasp
# 需要导入模块: from ase.calculators.vasp import Vasp [as 别名]
# 或者: from ase.calculators.vasp.Vasp import get_fermi_level [as 别名]
calc_band = Vasp(system = "Band structure",
encut = 500.00,
gga = "PS",
kpts=kpts,
nsw = 0,
ismear = 0,
sigma = 0.01,
reciprocal = True)
zns.set_calculator(calc_band)
print "Band Calc"
bands = zns.get_potential_energy()
# Get the band energies across the Brillouin zone
e_kn = np.array([calc_band.get_eigenvalues(k) for k in range(len(kpts))])
# Get Fermi energy
ef = calc_band.get_fermi_level()
nbands = calc_band.get_number_of_bands()
# Plotting time
e_kn -= ef
emin = e_kn.min() - 1.0
emax = e_kn[:, nbands-1].max() + 1.0
# Plot the energy Vs k-point for each band
nelect = calc_band.get_number_of_electrons()
for n in range(nbands):
# Choose colour based on valence or conduction
for n in range(nbands):
if n < nelect/2:
plt.plot(x, e_kn[len(ibzkpts):len(kpts), n],color='#800000')
else: