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How to speed up the convergence of SCF?

From: qmhu@imr.ac.cn
To: forum@abinit.org
Subject: How to speed up the convergence of SCF?
Date: Sat, 4 Jan 2003 03:57:06 +0100

Dear all,
Happy new year!
Recently, I used the Abinit3.4.3 to calculate the ground state energy of a
16-site NiAl supercell with one Ni-vacancy. The psps I used were of TM type,
generated by fhi98pp. However, I found the SCF precedure is very difficult to
converge (after 30 time iterations, \Delta E>10D-2). Some of the SCF
parameters I used were iscf=5, iprcel=45.
Could anybody tell me how to speed up the convergence of the SCF precedure?
Thank you very much!

How to speed up the convergence of SCF?, qmhu, 01/04/2003