pdos.tcl

::pwtk::sumldosFiles

::pwtk::sumldosFiles

SYNOPSIS

proc ::pwtk::sumldosFiles {pdosFiles fileout} {

DESCRIPTION

Sum LDOSes from $pdosFiles and write the result to $fileout file. LDOSes are summed using the QE sumpdos.x program.

ARGUMENTS

pdosFiles -- explicit list of projwfc.x filpdos pdos_atm files
fileout -- name of the output file where to write the summed LDOS

RETURN VALUE

The value of the "fileout" argument.

SOURCE

    foreach f $pdosFiles {
        ::pwtk::fileMustExist $f "projwfc.x pdos_atm"
    }

    try {
        eval execute -ignorestderr sumpdos.x $pdosFiles > $fileout
    } on error err {
        ::pwtk::error "an error occurred while running sumpdos.x\n\n$err" 1 
    }
    ::pwtk::print "\nSummed LDOS written to :   $fileout\n"
    return $fileout
}

TABLE OF CONTENTS

::pwtk::sumldosFiles