TABLE OF CONTENTS

::pwtk::pwo::alat

SYNOPSIS

proc ::pwtk::pwo::alat {file} {

PURPOSE

Get the alat value from the pw.x output file.

The proc searches for the "lattice parameter (alat) =" printout line in the initial pw.x printout header.

ARGUMENTS

SOURCE

    set string_old {*lattice parameter (a_0)   =*}
    set string_new {*lattice parameter (alat)  =*}

    pwtk::lineread line $file {

        set match_old [string match $string_old $line]
        set match_new [string match $string_new $line]

        if { $match_old || $match_new } {
            return [lindex $line 4]
        }
    }
    return 1.0
}