[Pw_forum] flow-chart in PWSCF

[S. K. S.]

 Dear All,

 First, let me thank Ngoc Linh Nguyen for his helpful reply.
 A part of his reply is as follows:
In general, the scf processes are similar, but in QE a density
convergence check is applied to accelerate convergence in scf
caculation, i.e. see in PRB 38,  12807 (1988).

This reference is indeed helpful.
I have still one confusion: what, in fact, QE starts with  as
an initial density n(r)  at the 0th iteration, i.e. what is n_0(r) ????
Is that simply constant or r dependent or both r and R dependent????
Then,  n0(r, R) = what ?????
Here, r and R are electronic and nuclei co-ordinates, respectively.

Thanking you and with my best regards,
 Saha SK
 R&D assistant
 JNCASR
 Bangalore
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