[Wien] structure parameters

[Jianfeng Zhu]

It's just an unit change from Angstrom to Bohr. But how can I keep it in Angstrom after reading the .cif file?

Peter

----- Original Message -----
From: Jianfeng Zhu <jzhu32 at uwo.ca>
Date: Thursday, December 20, 2007 1:30 pm
Subject: [Wien] structure parameters
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>

> Hi there,
>
> In some cases, when I construct the case.struct file using
> crystal structure file (.cif file), the cell parameters a, b,
> and c change to very different value as in the .cif file. Does
> anyone know why and how to fix it? Thank you in advance for your help.
>
> Peter
>
>
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