[gpaw-users] restarting g0w0 in gpaw version 1.1.0

[abhishek khetan]

Dear gpaw-developers,

I installed the newest version of gpaw 1.1.0 which has the restart option
in the g0w0 method. I used the code in the following way:
---------------------------------------------------------------------------
import numpy as np
from gpaw.response.g0w0 import G0W0
gw = G0W0(
    calc='../PW_SPIN_AFM.gpw',
    nbands=300,
    bands=(0,81),
    ecut=50.0,
    restartfile='G0W0_SPIN_AFM_old',
    filename='G0W0_SPIN_AFM_new',
    ppa=True,
    savepckl=True)
result = gw.calculate()
-----------------------------------------------------------------------------

I want to understand what is the right way to use the restartfile option in
the g0w0 routine because on running this calculation, the response
functions in the G0W0_SPIN_AFM_new.w.txt are calculated for all the kpoints
again and nothing from the old file (G0W0_SPIN_AFM_old) is borrowed.
Looking at the source code, it seems that one must insert a setting such
that one is able to use "dump.pickle" for the data to be saved by creating
a restartfile in the first place. I was under the impression that this is
the default behaviour.

Does the 'restartfile' option actually write data, or uses data from a
previous file, or both ?

It would be nice if you can please clarify how to use this option to
restart the calculations.

Thanks

--
MfG,
abhishek
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