<div dir="ltr"><div>Dear users,</div><div>I need to calculate elastic constants at a specific volume that I provide in the input. I used thermopw package for this. Following in my thermo_control file:</div><div>&INPUT_THERMO<br> what='scf_elastic_constants',<br> elastic_algorithm='advanced' <br> frozen_ions=.TRUE.<br> /</div><div><div>However, when I run my input file, in output, instead of one there
are multiple geometries considered. The lattice constant that I provide
in input is 9.4399 a.u, but the geometries considered have lattice constants very different
from the one provided. Can I know what changes I should make so that I
can get elastic constants at a single geometry for the exact lattice
constant that I provide in the input. Or is there any other alternative to compute the elastic constants at specific volume?<br></div></div></div>