TABLE OF CONTENTS


::pwtk::pwi::CELL_PARAMETERS_and_ATOMIC_POSITIONS_fromPWO

SYNOPSIS

proc ::pwtk::pwi::CELL_PARAMETERS_and_ATOMIC_POSITIONS_fromPWO {pwoFile {index end}} {

PURPOSE

Load new CELL_PARAMETERS and ATOMIC_POSITION cards from pw.x output file. CELL_PARAMETERS are loaded only if the record is present in the pw.x output file.

ARGUMENTS

SIDE EFFECTS

The ibrav is set to 0 if CELL_PARAMETERS are found in $pwoFile and loaded into PWTK.

SOURCE

    CELL_PARAMETERS_fromPWO  $pwoFile $index 
    ATOMIC_POSITIONS_fromPWO $pwoFile $index 
}