bug of finite external electric fields ?

Hanning Chen chenh... at gmail.com
Thu Jan 21 16:05:10 UTC 2010

Hi, CP2K developers and users,

  I think a bug likely exits in "efield_utils.F" that handles the finite
external electric fields. In the subroutine "make_field", the statement
(line 152 of the latest CVS version) of

                                 "field = 0.0_dp"    should be changed to
"field = field + 0.0_dp" (or simply be removed)

 The bugfix allows the appropriate handling of multiple sources of external
electric field, at least one of which is with constant envelope.

 Please correct me if I am wrong.


Hanning Chen, Ph.D.,
Department of Chemistry
Northwestern University
Evanston, IL 60091
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