[Pw_forum] average.x

[Xunlei Ding]

Suppose your input is like this
-----------------------------input like this-----------
1
out.dat
1
400             //// number of points
3                //// 3 means along z direction
2.351833   //// window size
----------------------------------------------------------
 
ÇÍÓÇä ÚÑíÞÇÊ wrote:

>Hi 
>I want to calculate the work function for slab ,Iread
>every thing abuot it in the fourm and made pp.x and
>average .x but I have some questions please answer me
>:1- what is the difference between column 1 and 2 in
>the output of average.x 
>  
>
There are 3 columns in the output:
column1 is the z direction (in bohr), column2 is the planner average and 
column3 is the average of column2
(the average of every n points in column2, n is determined by the 
"window size").

>2- In which units the potentials in the output of
>average.x is it Ryd
>  
>
Yes.

>3-What is the difference between planner average and
>macroscopic average ,how we can calculate planner
>average .
>

>4-Regfering to J.phy.condens.matter 
>11(1999),2689-2696 ,how can I choose the mean
>electrostatic potential as areference for Efermi and
>macroscopic potential . please answer me ,thanks.  
>
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