.. highlight:: none .. _subsec:energy.dat: 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, :math:`\sum_{i}\langle n_{i}\rangle` . - ``[sz]`` **Type :** Float **Description :** The expectation value of the :math:`z` component of the total spin, :math:`S_z = \sum_{i}\langle (n_{i\uparrow}-n_{i\downarrow})\rangle/2` . .. raw:: latex \newpage