Thank you all for your valuable and helpful reply
ANANT VIJAY VARMA M.Tech. STUDENT CENTER FOR CONVERGING TECHNOLOGIES UNIVERSITY OF RAJASTHAN JAIPUR On Thu, Aug 13, 2015 at 7:28 PM, I. Camps <[email protected]> wrote: > As Nick said, if you create a large cell, you will be creating vacuum but > be aware of the type of coordinates you are using (keyword > *AtomicCoordinatesFormat*). > > If you are using *Fractional *or *ScaledByLatticeVectors *you will not > create vacuum as suggested, instead, all the atom coordinate will scale > with your cell (thet remain in they relative positions). > > Regards, > > > []'s, > > @mps > > On Thu, Aug 13, 2015 at 7:41 AM, Nick Papior <[email protected]> wrote: > >> Vacuum is where no atoms exist in the unit-cell, hence creating a larger >> unit-cell is equivalent to vacuum. >> >> -- >> >> Kind regards Nick Papior >> On 13 Aug 2015 12:29, "ANANT VIJAY" <[email protected]> wrote: >> >>> Dear siesta users I am New in SIESTA .Please anyone can guide me how to >>> add vacuum in siesta syetem say for ex. slab? Please help me out I could >>> noot find code for including vacuum> >>> THANKS >>> ANANT VIJAY VARMA >>> M.Tech. STUDENT >>> CENTER FOR CONVERGING TECHNOLOGIES >>> UNIVERSITY OF RAJASTHAN >>> JAIPUR >>> >> >
