[Pw_forum] k-points parallelization in pwscf 4.2.1

Paolo Giannozzi giannozz at democritos.it
Mon Feb 14 18:22:24 CET 2011

Also notice that parallelization on k-points has (in principle)
a linear speedup on the diagonalization of H and related operations
depending on the number of k-points, but not for other operations
depending upon the charge density such as calculation of V[n(r)].
The latter are typically small in comparison with the former, but
it depends a lot upon the specific system. FFT parallelization
distributes both calculations (and yes, it distributes most memory,
I stand by my statement)

Paolo Giannozzi, Democritos and University of Udine, Italy

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