bands.tcl

::pwtk::bands_plot

::pwtk::bands_plot

SYNOPSIS

proc ::pwtk::bands_plot {args} {

USAGE

   ::pwtk::bands_plot ?OPTIONS?  HEAD  UNIT  NKTOT  KPATH_SPECS  ?KPATH_SPECS?  ...

DESCRIPTION

The usage of this command is fully analogous to ::pwtk::bands_run, but the command skips the calculations and only plots the spaghetti BANDS, and, if requested, DOS.

This command requires the same QE input data as ::pwtk::bands_run. Furthermore, the output files produced by ::pwtk::bands_run must exist.

BEWARE

The specified KPATH_SPECS must be identical to those used in preceding ::pwtk::bands_run. Otherwise:

either the plotted spaghetti BANDS will be wrong
or the command will abort by complaining about missing files

SEE

::pwtk::bands_run

RETURN VALUE

Filename of the created spaghetti plot (for file terminals) or the empty string (for window terminals).

SOURCE

    set mode plot
    
    printTitle BANDS_PLOT "Plotting spaghetti BANDS"
    print "Options & arguments :  $args\n"

    # parse options & arguments
    bandsParseOpts_
    bandsCheckUnit_
    bandsParseKSpecs_

    # parse kpath_specs & distribute k-points uniformly
    bandsDistributeK_
    
    # check that if the corresponding bands.x files exist
    bandsCheckFiles_

    # get Fermi energy
    Efermi_
    
    # plot
    return [bandsPlot_]
}

TABLE OF CONTENTS

::pwtk::bands_plot