[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


More information about the Pw_forum mailing list