hi dear sara
as you know in this site which I tried before we need the ascii 
pseudo-potential output but when I do calculate for lantanium it gaveĀ  nothings 
in the ascii pseudo-potential output so I have no out put. I don`t know what is 
the problem. 
I checked the output file and it show it stoped by the error which I cannot 
determind that. 
Do you have any other help?




________________________________
 From: sara yazdani <[email protected]>
To: "[email protected]" <[email protected]> 
Sent: Friday, November 30, 2012 6:31 PM
Subject: Re: [SIESTA-L] a request
 

Hi,

I hope this would help you: 
http://www.tddft.org/programs/octopus/pseudo.php?tp.x=66&tp.y=146

I think it will at least help you to generate a better pseudo in sieta.

Best of luck!

Responder a