TABLE OF CONTENTS

::pwtk::pwo::getAtmPosUnit

SYNOPSIS

proc ::pwtk::pwo::getAtmPosUnit {pwoFile} {

USAGE

   ::pwtk::pwo::getAtmPosUnit

PURPOSE

Get the ATOMIC_POSITIONS's unit from the pw.x output file.

If the pw.x output file does not contain the ATOMIC_POSITIONS record, "alat" of the initial coordinates in the output is returned.

ARGUMENT

SOURCE

    set atmPos [::pwtk::pwo::getAtmPos -k $pwoFile]
    return [::pwtk::trimCardFlag [lrange [lindex [split [string trim $atmPos] \n] 0] 1 end]]
}