TABLE OF CONTENTS

::pwtk::pwi::disableDipoleCorr

SYNOPSIS

proc ::pwtk::pwi::disableDipoleCorr {} {

PURPOSE

Disable dipole correction. This proc is typically used for slab calculations. By disabling the dipole correction, the vacuum thickness can be significantly reduced (e.g., via ::pwtk::pwi::incrVacuum) and an SCF convergence can be a bit easier.

SOURCE

    CONTROL {
        tefield  = 
        dipfield =
    }
    SYSTEM {
        edir    =  
        emaxpos = 
        eopreg  = 
        eamp    =
    }
}