includestress vs includelattice
Gets Around
9:21:57 PM PST - Thu, Feb 2nd 2012
What's the difference between

set includestress .true. # tell driver to optimize unit cell
set includelattice .true. # tell driver to optimize with a,b,c,alpha,beta,gamma

I thought stress optimizes a,b,c,alpha,beta,gamma, or is it something else?

Gets Around
12:30:38 PM PST - Tue, Feb 7th 2012
By default the cell optimization optimizes the lattice vectors a1, a2, and a3.


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