Hello Lorenzo,
Are you sure this works for all Bravais lattice types?
Because I am getting the following error:
----------------------------------------------------------------------------------------
task # 24
from cell_dofree : error # 1
Isotropic expansion is only allowed for ibrav=1; i.e. for simple cubic
----------------------------------------------------------------------------------------
Also, my system is 2D, so I was already using the 2Dxy option of
cell_dofree. Any suggestions?
Thank you.
Eleni
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