Re: RIET USER: Valence (using I.D. Brown - Altermatt data) for DOS

Wataru SUGIMOTO ( 696j5061@mn.waseda.ac.jp )
Sat, 22 Aug 1998 18:05:04 +0900 (JST)

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Reply: Alan Hewat, ILL Grenoble: "Re: RIET USER: Valence (using I.D. Brown - Altermatt data) for"

Hi all,
I've been trying to calculate the BVS using xtal-3d on some of our niobates.
But the CCSL listing returns an error message.

File 'xtal-3d.val' gives no value for Nb1 - O

Can anyone tell me what I'm doing wrong?

Thanks in advance,
****************************
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$BEl5~ET?7=I6hBg5WJ](B3-4-1
65$B9f4[(B4-6
Tel$B!'(B03-5286-3204
Fax$B!'(B03-5286-3204
E-mail$B!'(B696j5061@mn.waseda.ac.jp
http://www.appchem.waseda.ac.jp/inorg/INDEX.HTM

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