[Wien] maximum number of supercell atoms calculated in wien2k

[xn22 at drexel.edu]

I believe nobody can give you a definite figure. In principle you can construct
as large as possible for your supercell if your computer's speed and memory
can accommodate your job. Just try on your computers.

Good luck.

Xiliang

----- Original Message -----
From: ?? ? <cygeng77 at yahoo.com.cn>
Date: Thursday, October 16, 2003 11:18 pm
Subject: [Wien] maximum number of supercell atoms calculated in wien2k

> Dear all:
>       can you tell me the maximum number of total atoms and the 
> maximum number of inequivalent atoms in supercell that can be 
> calculated in wien2k? 
> Best regards
> 
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