[Pw_forum] Re: about electric field potential in pp.x

[Xunlei Ding]

But, it seems that v3.1 gives the same error, i.e. 
in the out file of pp.x: "     e_field is not calculated" , 
and in the data file the electric field potential data are all zero.

Now I add these lines in the  add_efield.f90 file.
    tefield = .true.
    dipfield = .true.
    edir=3
    eamp=0
    emaxpos=0.5
    eopreg=0.1
Then it can give non-zero data for plot_num=12. 
But I don't know whether it is correct.

Another question is, how to check whether the dipole correction is added correctly for the dipole molecular calculation such as H2O?
I add the above lines to the input file for pw.x calculation for H2O molecule, but I don't how to check whether the correction is correct.

Message: 10
From: Paolo Giannozzi <giannozz at nest.sns.it>
Subject: Re: [Pw_forum] Re: about electric field potential in pp.x


the cvs version has meanwhile become v3.1, not v3.0