[Wien] Wien Digest, Vol 147, Issue 4

[Gavin Abo]

Maybe they are saying that by using the MULTI values given in case.struct:

:MMTOT = :MMI002*MULTI_Fe + :MMI001*MULTI_Y + :MMINT [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16320.html ]

:MMTOT = 2.11118*4 + (-0.31749*2)  + (-0.98948) = 6.82026 (same as MMTOT 
but to 4 places after the decimal point that is likely due to a bit of 
rounding error)


On 2/24/2018 4:27 PM, Víctor Luaña Cabal wrote:
> 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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