Installing the P2D2 in EVA


A. Le Bail - March 2008

Installation
Additional screen shots
Bugs


Installation

0 - The DIFFRACPlus 2006 version is necessary
 


 

1- Download the binary files compressed into  (72 Mo)
 

2- Unzip the 5 subfiles into the directory where is Eva.exe, generally at :

C:\DiffPlus
 


 

3- Start EVA, go to the settings, declare the PCOD-3.uca as being the User Database :
 


 

4 - When realizing identification, open the search/match box and click to
select the option "add User Database to search" :

5 - then proceed as usual



Additional screen shots

Identification of zeolites :

Files from the User Database are shown with green icon


 


 



Bugs...

- Some structures are in fact two-dimensionnal in spite of all polyhedra apices common to two polyhedra. For such models, the GRINSP structure prediction software is unable to estimate the inter-layer distance. Most of these structure present powder pattern with very few peaks, one very intense, and the others very weak. They also have special coordination sequence, with small numbers of neighbours.