Energy¶
The values of energy, number of particles, and spin obtained by the calculations
of the UHF method are written to this file.
The filename is specified by a keyword energy in file.output section of the input parameter file.
An example of the output is presented below.
Energy_total = -5.88984624257707
Energy_band = -0.9265413257740396
Energy_interall = -4.963304916803031
NCond = 8.000000000000007
Sz = 3.2822430107160017e-07
File format¶
Energy_total =
[energy_total]Energy_band =
[energy_band]Energy_interall =
[energy_interall]NCond =
[ncond]Sz =
[sz]
Parameters¶
[energy_total]Type : Float
Description : The value of the total energy which is calculated using the eigenvectors obtained by the UHF method.
[energy_band]Type : Float
Description : The value of the energy which is derived from the eigenvalues of the Hamiltonian obtained by the UHF mothod.
[energy_interall]Type : Float
Description : The value of the energy of the interaction terms.
[ncond]Type : Float
Description : The expectation value of the number of particles, \(\sum_{i}\langle n_{i}\rangle\) .
[sz]Type : Float
Description : The expectation value of the \(z\) component of the total spin, \(S_z = \sum_{i}\langle (n_{i\uparrow}-n_{i\downarrow})\rangle/2\) .
