[RMCProfile-users] Amorphous

Carlos Triana Estupinan ctrianae at unal.edu.co
Mon Aug 8 16:10:49 BST 2016


I want to simulate a SiO2 amorphous structure of 432 atoms in a supercell
of side 18 amstrongs. However, I just have the oxygen K-edge spectrum, and
whant to constrain the first O-O and second Si-O coordination shells. The
question is how can I simulate the  long range order over such a large
supercell beyond the fist and second coordination shells.

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