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Re: [abinit-forum] rpim in ABINIT vs trans red in ICSD


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  • From: Steven Homolya <steven.homolya@spme.monash.edu.au>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] rpim in ABINIT vs trans red in ICSD
  • Date: Fri, 01 Oct 2004 18:51:55 +1000

xqliu77@yahoo.com.cn wrote:
Dear all:
I'm not sure about the mean of rpim in ABINIT, is it the conversion matrix between the conventional lattice and primitive lattice? And I don't know how to obtain it? Although I find an example about this(http://www.abinit.org/wws/arc/forum/2003-08/msg00037.html), but I can't connet the website: http://cst-www.nrl.navy.mil/lattice/index.html, so the doubt exist till now. Now, I find there is also an item "trans red" in the ICSD which should be similar to the rpim in ABINIT, so what's the relationship between rpim in ABINIT and 'trans red' in ICSD?

Thank you!

Xiao Qiang Liu

Never mind about searching the mailing list or looking on the Navy site. Just carefully read variable descriptions for rprim and all other related variables (just follow the links in the help files). It's all explained clearly in the documentation that comes with Abinit.

Steve


  • Re: [abinit-forum] rpim in ABINIT vs trans red in ICSD, Steven Homolya, 10/01/2004

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