TABLE OF CONTENTS

::pwtk::eos::ibrav2lattice

SYNOPSIS

proc ::pwtk::eos::ibrav2lattice {ibrav} {

PURPOSE

Map the ibrav value to the ev.x Bravais lattice type. This command is used by the EOS workflow.

RETURN VALUE

Either sc, fcc, bcc, hex, or noncubic.

SOURCE

    # account for ibrav = -3
    set ibrav [expr {abs($ibrav)}] 
    
    switch -- $ibrav {
        1  { set lattice sc  }
        2  { set lattice fcc }
        3  { set lattice bcc }
        4  { set lattice hex }
        default {
            set lattice noncubic
        }
    }
    return $lattice
}