triqs_dft_tools.converters.plovasp.plotools.hk_output

triqs_dft_tools.converters.plovasp.plotools.hk_output(conf_pars, el_struct, pgroups)

Outputs HK into text file.

Filename is defined by <basename> that is passed from config-file.

The Hk for each groups is stored in a ‘<basename>.hk<Ng>’ file. The format is similar as defined in the Hk dft_tools format, but does not store info about correlated shells and irreps

nk # number of k-points n_el # electron density n_sh # number of total atomic shells at sort l dim # atom, sort, l, dim at sort l dim # atom, sort, l, dim

After these header lines, the file has to contain the Hamiltonian matrix in orbital space. The standard convention is that you give for each k-point first the matrix of the real part, then the matrix of the imaginary part, and then move on to the next k-point.