[Wien] Wien Digest, Vol 147, Issue 4
Badis Bennecer
b_bennacer at hotmail.com
Sun Feb 25 07:06:39 CET 2018
Dear Victor,
It is minus signs
Best regards
________________________
Badis
________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Víctor Luaña Cabal <victor at fluor.quimica.uniovi.es>
Sent: Saturday, February 24, 2018 11:27 PM
To: A Mailing list for WIEN2k users
Cc: Victor Luaña
Subject: Re: [Wien] Wien Digest, Vol 147, Issue 4
On Sat, Feb 24, 2018 at 11:46:06PM +0000, Badis Bennecer wrote:
> Hi
>
> It looks like the total magnetic moment in the cell, with Z=2 (unit cell defined in your case.structure)
>
> (( 2.11118*2)*2+(-0.31749*2)+( -0.98948)= 8,4472-0,63498--0.98948=6,82274 (unity)
Dear Badis,
Sorry, but I don't even recognize the computer languaje in which your
answer is written.
Can you clarify that point for me?
Is the "--" a misprint? Same thing for the odd number of parenthesis?
Best regards,
Víctor Luaña
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