Clarification on david_diago_ndim

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13224 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2017-01-07 09:22:42 +00:00
parent 7570c21f63
commit bdc34dbd63
1 changed files with 5 additions and 3 deletions

View File

@ -1883,10 +1883,12 @@ input_description -distribution {Quantum Espresso} -package PWscf -program pw.x
info {
For Davidson diagonalization: dimension of workspace
(number of wavefunction packets, at least 2 needed).
A larger value may yield a somewhat faster algorithm
but uses more memory. The opposite holds for smaller values.
A larger value may yield a smaller number of iterations in
the algorithm but uses more memory and more CPU time in
subspace diagonalization.
Try @ref diago_david_ndim=2 if you are tight on memory or if
your job is large: the speed penalty is often negligible
the time spent in subspace diagonalization (cdiaghg/rdiaghg)
is significant compared to the time spent in h_psi
}
}