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
- pwoFile -- name of pw.x output file
- index -- (optional, default = end) which lattice & coordinates to load. The index of 0 indicates the first lattice & and the first coordinates found in the pw.x output. The index for the last lattice & coordinates can be specified by string "end".
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 }