Electrical Field issue

Yiming Yang yimingy... at gmail.com
Tue Jun 10 11:52:30 UTC 2014


Dear CP2K users,

I want to study a system of a molecule on the surface of Si(100).

Now, I am trying to apply electrical field or electrical pulse to approach 
the experimental results.

But when I wrote in my input file as followed, it turns out error.

      &EFIELD
         ENVELOP RAMP
         INTENSITY 4E+07
         POLARISATION 0.0 0.0 1.0
         &RAMP_ENV
         END_STEP_IN    25
         END_STEP_OUT   35
         START_STEP_IN  20
         START_STEP_OUT 30
         &END
      &END EFIELD

I will attach my input file with this topic.

Thanks in advance

Yiming
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