<br>Hello,<br> I have a tetragonal unit cell with experimental lattice parameters (a=b=/c). In order to find their theoretical values, I performed variable cell relaxation (vc-relax). But I want to be sure that I performed these calculations correctly. I know it is possible to perform several static calculations for different lattice parameters (or volume) and then fit the data by EOS. But I only see (for example,
ev.f90 from espresso distribution), that it is possible only for cubic and hexagonal unit cell. Could anyone tell me can I use such kind of technique in case of tetragonal unit cell? <br clear="all"><br><br>cheers,<br> Jess