The ABINIT Users Mailing List ( CLOSED )

[yshtogun@cas.usf.edu]

Dear all,

I am an abinit user and I am particularly interested in learnin how to use 
the electric field feature supplied by the code. The theoretical background 
indicates that the applied electric field is treated as a perturbation and 
the response function is calculated. My questions are the following:

1. How does the perturbation method applied in abinit compare to another way 
of treating electric fields, namely the construction af a sawtooth potential?

In that regard, is the size of the supercell relevant to the results from the 
calculation with an applied electric field?

2. The manual explains that the electric field must be increased gradually by 
some order when making selfconsistent runs. What is the significance of that? 
What are the physical units used as an input number in the code, in other 
words, if E=0.0001 does that mean that it is Volts per Angstrom?

3. I am also interested in obtianing density of states and bandstructure. If 
an electric field is applied, what is the procedure of obtaining those? Is it 
the same when E=0 or not?