[Thermo_pw-forum] Thermo_pw-forum Digest, Vol 3, Issue 7

[Andrea Dal Corso]

On Thu, 2020-08-20 at 11:32 +0000, El-abed Haidar wrote:
> I do not understand why it should be ibrav =14? Any thoughts on that?

I was trying to answer this. If the symmetry point group is not
compatible with the Bravais lattice, thermo_pw suggests that you change
the Bravais lattice. 
If this happens you can do the calculation in any case, but symmetry
cannot be exploited for computing the physical properties.

There is no limit on the size of the unit cell.

Andrea




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