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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