[Pw_forum] General pseudopotential generation questions (using ld1)
Paolo Giannozzi
giannozz at nest.sns.it
Wed Oct 3 09:36:50 CEST 2007
On Oct 2, 2007, at 23:28 , Tyler Grassman wrote:
> First, the potential mixing paramter, "beta." The default is 0.2,
> but I
> found in some of the examples in the atomic_doc directory values of
> 0.5.
> How does this paramter effect the PP?
it doesn't. It affects only how fast scf convergence is achieved.
Paolo
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
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