[Opium-talk] RE: Opium-talk digest, Vol 1 #39 - 2 msgs

[Chun Li <ch...@mf...>]

Dear Eric,

Thanks for your reply. I have downloaded it and tried the first example
(Hydrogen) in the tutorial. However, when I ran the command:

Opium hydrogen.param hydrogen.log ae ps nl fhi rpt

in my created subdirectory under opium-v1.0.1, only the log file
appeared including the following text:


 
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
           OPIUM  Version:      1.0.1
           =====================================
 See http://opium.sourceforge.net for help and information

 Copyright 2004 : The OPIUM project
 time of execution: Fri Aug  6 10:28:26 2004

 
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 Reading parameter file:  <hydrogen.param> ... 
 File prefix             : hydrogen 
 Element                 : (1) 
 Z                       : 0 

 Number of all-electron orbitals   : 1 
 Number of pseudo       orbitals   : 1 
 
 Pseudopotential is non-relativistic 
 Exchage-correlation functional is : Perdew-Zunger LDA 
 The s potential is used for the KB construction
 Cannot determine pseudopotential method

According to the tutorial, there should be ten files generated in my
working directory. I don't know where the mistake is. Could you give me
some ideas? Thanks a lot.

Sincerely,
Chun Li


Message: 2
Date: Thu, 5 Aug 2004 11:52:18 -0400
From: "Eric J. Walter" <ew...@pa...>
To: opi...@li...
Subject: Re: [Opium-talk] As a beginner, how to start using OPIUM?
Reply-To: ej...@wm...

Dear Chun, 

There are tests/examples in the source tarball under tests/.  If you
downloaded a binary, you can download opium-v1.0.1-tests.tgz.

I am in the processes of writing tutorials for version 1.0.x, you may
find looking at the older documentation helpful (click the link at the
top of the opium.sourceforge page).  Until I upload these (perhaps in
a few days), feel free to ask me and/or the list questions.

Sincerely, 

Eric J. Walter




On Thu, Aug 05, 2004 at 05:26:55PM +0200, Chun Li  wrote:
> Dear all,
>  
> I want to use OPIUM to genarate the pseudopotentials of zinc and
oxygen
> atoms for using in ABINIT package. Is there a detailed tutorial or
> examples for the beginners to start with? Thanks a lot.
>  
> Best regards.
>  
> Chun Li



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