[Wien] The crystal structure of nanoparticle structure

Algerian Researcher jazairdz at gmail.com
Tue May 24 23:49:17 CEST 2022


Thanks Pr Blaha for the procedure but before seeing your answer I have
tried the following procedure to get the structure of 14 atoms and I want
to know if it's true or not.

* supercell 1*1*1  P
* space of 20 Bohr
* Repetition
* Sgroup and accept the new structure
and I got a unit cell in a box

With supercell 2*2*2 P I could get structure of 63 atoms

But I don't know to get the structure of 35 atoms.

My best regards
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