[Wien] Is it possible to add vacuum to two orientation?

[xn22 at drexel.edu]

You can add vacuum to 2D for wire calculations.
But there is convergence problem for GGA if you have
too much vacuum region due to second differentation
issue in GGA potential. You need to play some trick
if you really need GGA (possibly you can't ignore
the GGA effect for less dimension systems). It works
fine for LDA. 

----- Original Message -----
From: ?? ? <cygeng77 at yahoo.com.cn>
Date: Wednesday, September 3, 2003 9:56 pm
Subject: [Wien] Is it possible to add vacuum to two
orientation?

> Dear all:
>        I want to know if it is possible to add
vacuum to two 
> orientation (y and z orientation)?
> thanks in advance
> 
> 
> 
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