O Segredo Dos GГЄnios Pdf
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License.
O segredo dos deuses – por laura botelho 27 de abril de 2011. De acordo com Thomas Castello, Reptilianos de Alpha Draconis, ocupam o topo do comando na Terra, tendo os Reptilianos nativos como imediatos. (2) Deuses Do Eden William Bramley.doc PDF. O Segredo Dos Genios Pdf. 7/4/2017 0 Comments. Cremos, portanto, que. E se conseguirmos obter este efeito, veremos que o reino dos c. No tempo dos Patriarcas, como esses santos homens habitavam separadamente, segregados do resto do mundo, e, nas suas fam. Com efeito, afastados os seus filhos da companhia dos maus, e iluminando- os com o bom.
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From future import division, unicodeliterals import numpy as np import six import warnings from monty.json import MSONable from pymatgen.electronicstructure.core import Spin, Orbital from pymatgen.core.periodictable import getelsp from pymatgen.core.structure import Structure from pymatgen.core.spectrum import Spectrum from pymatgen.util.coord import getlinearinterpolatedvalue from scipy.constants.codata import value as cd ' This module defines classes to represent the density of states, etc. ' author = 'Shyue Ping Ong' copyright = 'Copyright 2012, The Materials Project' version = '2.0' maintainer = 'Shyue Ping Ong' email = 'shyuep@gmail.com' date = 'Mar 20, 2012'. Def getinterpolatedgap ( self, tol = 0.001, abstol = False, spin = None ): ' Expects a DOS object and finds the gap Args: tol: tolerance in occupations for determining the gap abstol: Set to True for an absolute tolerance and False for a relative one. Spin: Possible values are None - finds the gap in the summed densities, Up - finds the gap in the up spin channel, Down - finds the gap in the down spin channel. Returns: (gap, cbm, vbm): Tuple of floats in eV corresponding to the gap, cbm and vbm. ' tdos = self.
Y if len ( self. Ydim ) 1 else np.
Y, axis = 1 ) if not abstol: tol = tol. tdos. Sum / tdos. Shape 0 energies = self. X belowfermi = i for i in range ( len ( energies )) if energies i tol abovefermi = i for i in range ( len ( energies )) if energies i self.
Battleship tamil dubbed tamilrockers. Efermi and tdos i tol vbmstart = max ( belowfermi ) cbmstart = min ( abovefermi ) if vbmstart cbmstart: return 0.0, self. Efermi, self. Efermi else: # Interpolate between adjacent values terminaldens = tdos vbmstart: vbmstart + 2 :: - 1 terminalenergies = energies vbmstart: vbmstart + 2 :: - 1 start = getlinearinterpolatedvalue ( terminaldens, terminalenergies, tol ) terminaldens = tdos cbmstart - 1: cbmstart + 1 terminalenergies = energies cbmstart - 1: cbmstart + 1 end = getlinearinterpolatedvalue ( terminaldens, terminalenergies, tol ) return end - start, end, start.
Def getcbmvbm ( self, tol = 0.001, abstol = False, spin = None ): ' Expects a DOS object and finds the cbm and vbm. Args: tol: tolerance in occupations for determining the gap abstol: An absolute tolerance (True) and a relative one (False) spin: Possible values are None - finds the gap in the summed densities, Up - finds the gap in the up spin channel, Down - finds the gap in the down spin channel. Returns: (cbm, vbm): float in eV corresponding to the gap ' # determine tolerance if spin is None: tdos = self. Y if len ( self. Ydim ) 1 else np. Y, axis = 1 ) elif spin Spin. Up: tdos = self.
Y :, 0 else: tdos = self. Y :, 1 if not abstol: tol = tol. tdos. Sum / tdos. Shape 0 # find index of fermi energy ifermi = 0 while self. X ifermi = 0 and tdos igapstart - 1. Def getdensities ( self, spin = None ): ' Returns the density of states for a particular spin.
Args: spin: Spin Returns: Returns the density of states for a particular spin. If Spin is None, the sum of all spins is returned. Densities is None: result = None elif spin is None: if Spin. Down in self. Densities: result = self. Densities Spin.
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Densities Spin. Down else: result = self. Densities Spin. Up else: result = self. Densities spin return result. Def getinterpolatedgap ( self, tol = 0.001, abstol = False, spin = None ): ' Expects a DOS object and finds the gap Args: tol: tolerance in occupations for determining the gap abstol: Set to True for an absolute tolerance and False for a relative one.
Spin: Possible values are None - finds the gap in the summed densities, Up - finds the gap in the up spin channel, Down - finds the gap in the down spin channel. Returns: (gap, cbm, vbm): Tuple of floats in eV corresponding to the gap, cbm and vbm. ' tdos = self. Getdensities ( spin ) if not abstol: tol = tol. tdos. Sum / tdos.
Shape 0 energies = self. Energies belowfermi = i for i in range ( len ( energies )) if energies i tol abovefermi = i for i in range ( len ( energies )) if energies i self. Efermi and tdos i tol vbmstart = max ( belowfermi ) cbmstart = min ( abovefermi ) if vbmstart cbmstart: return 0.0, self.
Efermi, self. Efermi else: # Interpolate between adjacent values terminaldens = tdos vbmstart: vbmstart + 2 :: - 1 terminalenergies = energies vbmstart: vbmstart + 2 :: - 1 start = getlinearinterpolatedvalue ( terminaldens, terminalenergies, tol ) terminaldens = tdos cbmstart - 1: cbmstart + 1 terminalenergies = energies cbmstart - 1: cbmstart + 1 end = getlinearinterpolatedvalue ( terminaldens, terminalenergies, tol ) return end - start, end, start.
Def getcbmvbm ( self, tol = 0.001, abstol = False, spin = None ): ' Expects a DOS object and finds the cbm and vbm. Args: tol: tolerance in occupations for determining the gap abstol: An absolute tolerance (True) and a relative one (False) spin: Possible values are None - finds the gap in the summed densities, Up - finds the gap in the up spin channel, Down - finds the gap in the down spin channel. Returns: (cbm, vbm): float in eV corresponding to the gap ' # determine tolerance tdos = self. Getdensities ( spin ) if not abstol: tol = tol. tdos.
Sum / tdos. Shape 0 # find index of fermi energy ifermi = 0 while self.
Energies ifermi = 0 and tdos igapstart - 1. Def getdoping ( self, fermi, T ): ' Calculate the doping (majority carrier concentration) at a given fermi level and temperature. A simple Left Riemann sum is used for integrating the density of states over energy & equilibrium Fermi-Dirac distribution Args: fermi (float): the fermi level in eV T (float): the temperature in Kelvin Returns (float): in units 1/cm3. If negative it means that the majority carriers are electrons (n-type doping) and if positive holes/p-type ' cbintegral = np.
Idxcbm:. f0 ( self. Energies self. Idxcbm:, fermi, T ). self. Idxcbm:, axis = 0 ) vbintegral = np.
Tdos : self. Idxvbm + 1. ( 1 - f0 ( self. Energies : self.
Idxvbm + 1 , fermi, T )). self.
Idxvbm + 1 , axis = 0 ) return ( vbintegral - cbintegral ) / ( self. Volume. self. Atocm. 3 ). Def getfermiinterextrapolated ( self, c, T, warn = True, cref = 1e10,. kwargs ): ' Similar to getfermi except that when getfermi fails to converge, an interpolated or extrapolated fermi (depending on c) is returned with the assumption that the fermi level changes linearly with log(abs(c)).
Args: c (float): doping concentration in 1/cm3. C0 p-type doping (i.e.
O Segredo Dos Genios
Majority carriers are holes) T (float): absolute temperature in Kelvin warn (bool): whether to warn for the first time when no fermi can be found. Cref (float): a doping concentration where getfermi returns a value without error for both cref and -cref.kwargs: see keyword arguments of the getfermi function Returns (float): the fermi level that is possibly interapolated or extrapolated and must be used with caution. ' try: return self. Getfermi ( c, T,. kwargs ) except ValueError as e: if warn: warnings. Warn ( str ( e )) if abs ( c ).