CalculateRho

CalculateRho($H$) computes the density matrix for a given Tight Binding model.

• $H$ : Tight Binding Object
• Possible options are:

  • “Nk” List of integers the format {N$_x$,N$_y$,N$_z$} giving the number of Crystal momentum states used to solve the model. If the reciprocal lattice is zero, then Nk is always set to {0,0,0}, independent of the option given (Standard value {40,40,40})
  • “mu” Real number giving the chemical potential $\mu$. (Standard value 0)
  • “kbT” or “kBT” Positive real number indicating the value of $\beta=k_BT$ for the calculation. (Standard value DBL_EPSILON)

• $\rho$ : Matrix object with size N$_x$*N$_y$*N$_z$*N$_{orbs}$, where N$_{orbs}$ is the number of defined orbitals per unit cell in the Tight Binding input.

description text

Example.Quanty

-- some example code

text produced as output