[Pw_forum] cp.x code
jhouska at kfy.zcu.cz
Tue Nov 24 20:04:28 CET 2009
please I am quite confused about the cp.x code which I an going to use:
(I) is there a difference between (1) scf calculation using cp.x and
(3) scf calculation using pw.x ?
(II) is there a difference between (1) scf calculation using cp.x and
(2) cp calculation using cp.x with electron_dynamics = (say) 'sd' and
ion_dynamics = 'none' ?
(III) how critical is the "ion_radius" choice ... e.g. is it clever to
make it equal to (known) covalent radius?
Thanks a lot,
University of West Bohemia
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