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includestress vs includelattice

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Forum >> NWChem's corner >> General Topics >> includestress vs includelattice

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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?


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