[Wien] construction supercell

[Ercan Ucgun]

Hi wien users,
I am just wondering that when we start a structure like Fe(1-x)Mn(x), what 
is the starting point? to start with single Fe unit cell, enlarge it to a 
supercell (for example 2x2x2) and start putting Mn according to the 
concentration and finished with all Mn. Is that what poeple do normally. 
Would someone explain me for example how to construct a structure like 
Fe(0,70) Mn(0,30)?




Yrd. Doc. Dr. Ercan UCGUN
Dumlupinar Universitesi
Fen Edebiyat Fakultesi
Fizik Bolumu
Kutahya / TURKEY

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