mirror of https://gitlab.com/QEF/q-e.git
TODO list updated
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@222 c92efa57-630b-4861-b058-cf58834340f0
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TODO
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TODO
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@ -73,6 +73,16 @@ PW
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- ultrasoft PP: newd and addusdens are too slow
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import "small boxes" from CP
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- make hpsi/spsi/newd/addusdens/CG/DIIS faster
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- remove complex factor i**l from beta fct and q(r) (preliminary)
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- shift structure factor from beta to psi when computing becp (reduce memory)
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- use real BLAS routine instead of COMPLEX one in hpsi/spsi (at least 2 times
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faster).
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- use only half of the G's when computing real integrals (2 times faster)
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- seek for CG and DIIS algoritms that only use (H-eS)|psi> and not
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the two vector separately ... compute it in one single call. (this way
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S|psi> is inexpensive)
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- output should be more informative and less confused
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POSTPROCESSING
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