TABLE OF CONTENTS

::pwtk::ldos_fullplot

SYNOPSIS

proc ::pwtk::ldos_fullplot {args} {

USAGE

    ldos_fullplot  ?OPTIONS?  FILPLOT

PURPOSE

Plot the LDOS(es) of each atom into a separate plot of a multiplot.

OPTIONS

For options, see ::pwtk::ldos_multiplot

ARGUMENT

SOURCE

    set filplot [lindex $args end]
    set args [lrange $args 0 end-1]

    print LDOS_FULLPLOT:

    # construct a list of lists of LDOS plots
    
    set nat 0
    foreach f [pdos_atm_files -f $filplot] {
        # extract atom.# (iat) and angular momentum (l) from the filename
        regexp {pdos_atm#(\d+)\(\w+\)_wfc#\d+\((\w)\)} $f matchVar iat l
        lappend l1($iat,$l) $f
        if { $iat > $nat} { set nat $iat }
    }
    for {set iat 1} {$iat <= $nat} {incr iat} {
        foreach l {s p d f g h} {
            if { [info exist l1($iat,$l)] } {
                foreach x $l1($iat,$l) {
                    lappend l2($iat) $x
                }
            }
        }
        ifnotempty l2($iat) { lappend ll $l2($iat) }
    }
    ldos_multiplot {*}$args $ll $filplot.fullLDOS
}