TABLE OF CONTENTS

::pwtk::dos_spin

SYNOPSIS

proc ::pwtk::dos_spin {dosFile} {

DESCRIPTION

Query if $dosFile corresponds to spin-polarized case.

RETURN VALUE

1 -- if spin-polarized 0 -- otherwise

SOURCE

    ::pwtk::fileMustExist $dosFile DOS
    
    set fid [open $dosFile r]
    gets $fid line
    close $fid

    # format of dos.x fildos header:
    #
    #   0  1 2      3
    #   #  E (eV)   dosup(E)     dosdw(E)   Int dos(E) EFermi =   12.792 eV
    #      ...      ...          ...        ...
    
    if { [lindex $line 3] == "dosup(E)" } {
        return 1
    }
    return 0
}