Dear all,
I have some questions about choosing the structure generated within Amorphous Cell.
I have been reading the answers for ACC from this site and I understand that is better to select the structure from frame with minimum energy. What is better to select, value
from MINIMIZATION ENERGY SUMMARY or Dynamics Summary ?
Some structures seem not to keep the atoms in cell; it appears spread, with a low density ( but I know the density is constant, 3D-periodicity..). This structures have minimum
energy!
So, it important what it looks? Is it good or not for the next step?
In other case in out file appears the next message: the few steps MD simulation is not performed and selected properties have been written to the file *.tbl.. But I don`t find this folder. And I have a fewer structures number comparative with frame number. In this case I do not know what is the best choise.
Thank you,
Amy