(From MMikami, 000602)

I have tried the VASP Data Viewer
(http://vaspview.sourceforge.net/ ),
and have found it seems to work with "ABINIT & Cut3d".

I have transmitted a sample output file of VASP Data Viewer.
Two type of files are available, i.e "png" and "ps"(gzipped).
(See ~ABINIT/Infos/Images)
(The snapshot was taken with the image viewer "gimp" on my Linux box.)
The example was taken from t5o_DEN in Test_fast.

In order to get the output, I first get 3D formatted data file
from t5o_DEN with your "cut3d" utility. Then I add following lines
at the very beginning of the 3D formatted file, as follows;

<-- input file for VASP Data Viewer --> | <----------- my comment ------------>
-------------------------------------------------------------------------------
Si                                      | <-- Title of this file
 1.000000000000000000                   | this may be always 1.00 (Q1)
 0 .5 .5                                | lattice vector A
.5  0 .5                                |                B
.5 .5  0                                |                C
 2                                      | Number of atom1, Number of atom2, ...
Direct                                  | This may be always "Direct" (Q2)
 0.00000 0.00000 0.00000                | Internal coordinates
 0.25000 0.25000 0.25000                |       of atom1, atom2, ...

 16 16 16                               | meshes (NGX, NGY, NGZ)
   8.9548941621785047E-003              | here 3-D data list of charge etc.
   1.9158745664131810E-002              | (output from "Cut3d"
   4.1975287660824784E-002              | the order of the data list is like
   5.8167538139171950E-002              |  (((C(NX,NY,NZ),NX=1,NGX),
   5.6138792960258824E-002              |    NY=1,NGY),NZ=1,NGZ)
   4.3599107308094173E-002              |
	(snipped)
---------------------------------------------------------------------------
N.B.  The lattice vectors (A,B,and C) can be scaled as the above.







(From MMikami, 000609, additional information)

The latest "VASP Data Viewer" has appeard just now,
partly because I told the author the meaning of the unknown paramters
in the input file.

In passing, I would like to tell you one more info.
      http://www-k3.ijs.si/kokalj/xc/XCrySDen.html
This is another viewer code for such 3-D outputs, with crystal structures.
(Only the executables are distributed. To get the binaries,
 resigtration procedure is necessary. Please look into the URL for the details)

I have already contacted the author the possibility for XCrySDen to
manage the VASP-Data-Viewer-type format. He said,

    Thank you very much for suggestion. In fact several VASP users already
    contacted me with almost the same request. In fact one of them already
    wrote the VASP->XCrySDen conversion. If he will be willing to share this
    conversion program, we can hope to have have this option soon.

------- Forwarded Messages

Subject: Re: VASP Data Viewer
Date: Wed, 07 Jun 2000 17:54:20 +0900
From: Masayoshi MIKAMI <mmikami>

Dear Timothy Terriberry,

I think I have found something.

>> (Q1) I don't know what this does. The VASP package was written in
>> Fortran, and I am not a Fortran programmer, so I never tried picking
>> through the source to find out _exactly_ what the above command did.
>> Every file I was given to test with had the same "1.0000000000000000000"
>> in that position.
>>
>> (Q2) Again, I don't know what this means, for the same reason. Every
>> file I was given to test with had the same "Direct" in that position.
>>
>> (Q3) This part, at least, I understood, and as you can see from the
>> above, you have the order of the data list correct.

About (Q1) and (Q2), could you please refer to the following URL ?
http://cms.mpi.univie.ac.at/vasp/guide/node13.html#SECTION00043100000000000000

>From the POSCAR section,

(Q1) this seems a universal scaling factor (for lattice vectors) !
(Q2) "Direct" means fractional (internal) coordiates.
     In the "Cart" case, positions will be scaled by universal scaling factor.


------- Message 2

Date: Fri, 09 Jun 2000 00:57:38 -0400
From: "Timothy B. Terriberry" <tterribe@vt.edu>
Reply-To: tterribe@vt.edu
Organization: Virginia Polytechnic Institue
To: Masayoshi MIKAMI <mmikami@atlas.rc.m-kagaku.co.jp>
Subject: Re: VASP Data Viewer

> This information might be useful to you ...
Thanks, an updated version of the viewer that incorporates these things
has been posted (http://vaspview.sourceforge.net)

-Timothy Terriberry (mailto:tterribe@users.sourceforge.net)

------- End of Forwarded Messages


