[Wien] Regarding electron density calculations

[Víctor Luaña Cabal]

On Fri, May 01, 2015 at 12:30:43PM +0530, Mamta Chauhan wrote:
> I want to calculate the difference charge density. I can calculate the
> valence charge density. but don't know to calculate the difference density.
> Can anyone help me and suggest to calculate the difference density for
> example TiC (Titanium Carbide) in Wien2k? Is there any tutorial available
> for it?

Mamta,

1) Please, think a little ...

2) If you know how to obtain the electron density in a region (1D, 2D, 3D)
   what impedes you to do two calculations modifying anything in your
   system and obtain their difference?

3) Do you need that some slave provides you a script to do the difference?
   Paint it in nice colors? Anything else, bwana?

Sorry if my words disturb you, but today it is the international day of
workers. Did you realise? Did you even know?

Good luck in your adventure of learning some physics and mathematics,

        Dr. Víctor Luaña
--
     .  .    "Research is to see what everybody else has seen, and to
    / `' \   think what nobody else has thought"                             
   /(o)(o)\  -- Albert Szent-Gyorgi
  /`. \/ .'\ 
 /   '`'`   \ "Lo mediocre es peor que lo bueno, pero también es peor
 |  \'`'`/  | que lo malo, porque la mediocridad no es un grado, es una
 |  |'`'`|  | actitud"
  \/`'`'`'\/          -- Jorge Wasenberg, 2015
===(((==)))==================================+=========================
! Dr.Víctor Luaña, in silico chemist & prof. ! Mediocre is worse than
! Departamento de Química Física y Analítica ! good, but it is also
! Universidad de Oviedo, 33006-Oviedo, Spain ! worse than bad, because
! e-mail:   victor at fluor.quimica.uniovi.es   ! mediocrity is not a grade,
! phone: +34-985-103491  fax: +34-985-103125 ! it is an attitude
+--------------------------------------------+
 GroupPage : http://azufre.quimica.uniovi.es/
             (being reworked)