triqs_dft_tools.converters.plovasp.plotools.plo_output

triqs_dft_tools.converters.plovasp.plotools.plo_output(conf_pars, el_struct, pshells, pgroups)

Outputs PLO groups into text files.

Filenames are defined by <basename> that is passed from config-file. All necessary general parameters are stored in a file ‘<basename>.ctrl’.

Each group is stored in a ‘<basename>.plog<Ng>’ file. The format is the following:

# Energy window: emin, emax

ib_min, ib_max

nelect

# Eigenvalues

isp, ik1, kx, ky, kz, kweight

ib1, ib2

eig1

eig2

…

eigN

ik2, kx, ky, kz, kweight

…

# Projected shells

Nshells

# Shells: <shell indices>

# Shell <1>

Shell 1

ndim

# complex arrays: plo(ns, nion, ndim, nb)

…

# Shells: <shell indices>

# Shell <2>

Shell 2

…