[Pw_forum] ph.x run on GRID including drho_star for d3q.x calculation

[Lorenzo Paulatto]

On Sunday, 12 March 2017 13:27:33 CET Min Hong wrote:
 drho_star%open = .true.
> drho_star%ext  = 'drho',
> drho_star%dir  = ‘FILDRHO’
> 
> Then following this, I can continue to use d3q.x.

Dear Min,
this won't work. It is not impossible to do, but I do not have the time to do 
it. In general, saving the variation of the potential of charge density does 
not work when using the grid parallelization.
 
On another not, if it is heavy for you to run the phonon calculation, you have 
no chance to run the D3 one, as it takes much longer for the same grid, 
approximately the size of the grid times longer.  (unless the grid is only 
Gamma, in which case it is a few times faster)

hth

-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
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