[Pw_forum] structure relaxation in the sawtooth method
Paolo Giannozzi
giannozz at democritos.it
Thu Nov 27 09:07:10 CET 2008
hanghui chen wrote:
> Before the version 4.0.2, the structure relaxation in the sawtooth
> method is not correctly implemented because the electric field disappears
> after the first run. Can anyone tell me how this bug is fixed?
it was fixed here:
http://www.democritos.it:8888/O-sesame/chngview?cn=6133
Please get this and verify if the bug you mention is fixed:
http://www.pwscf.org/downloads/PWversion/4.0.4/espresso-4.0.4.tar.gz
Paolo
--
Paolo Giannozzi, Democritos and University of Udine, Italy
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