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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degironc 2003-06-01 15:31:31 +00:00
parent 74b714b4e4
commit 6eabd7d44a
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10
TODO
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@ -73,6 +73,16 @@ PW
- ultrasoft PP: newd and addusdens are too slow
import "small boxes" from CP
- make hpsi/spsi/newd/addusdens/CG/DIIS faster
- remove complex factor i**l from beta fct and q(r) (preliminary)
- shift structure factor from beta to psi when computing becp (reduce memory)
- use real BLAS routine instead of COMPLEX one in hpsi/spsi (at least 2 times
faster).
- use only half of the G's when computing real integrals (2 times faster)
- seek for CG and DIIS algoritms that only use (H-eS)|psi> and not
the two vector separately ... compute it in one single call. (this way
S|psi> is inexpensive)
- output should be more informative and less confused
POSTPROCESSING