TABLE OF CONTENTS

::pwtk::pwi::getXSFPrimCoor

SYNOPSIS

proc ::pwtk::pwi::getXSFPrimCoor {} {

DESCRIPTION

Return the XSF's PRIMCOORD data from the current pw.x input data, e.g. 

      PRIMCOORD
        nat 1
        AtmSymb1 x1 y1 z1
        AtmSymb2 x2 y2 z2
        ...

BEWARE: works correctly for non-path calculations only

SOURCE

    set xsf [split [::pwtk::pwi::getXSF] \n]
    set ind [lsearch $xsf *PRIMCOOR*]
    
    return [join [lrange $xsf $ind end] \n]
}