[gpaw-users] restarting g0w0 calculations.

abhishek khetan askhetan at gmail.com
Tue Jun 21 00:16:56 CEST 2016


Dear gpaw-deveopers,

can you please tell me the correct usage of the "restartfile: str" keyword
in the g0w0 method. My calculations stopped after 24 hrs and couldn't
calculate all the response functions because of the time limit. In the
first run, I has used:

--filename='gw_spin_files'

and in the restart run I tried

--filename='gw_spin_files_2'
--restartfile='gw_spin_files'


But the rerun crashed giving the error:

rank=01 L0: Traceback (most recent call last):
rank=01 L1:   File "g0w0.py", line 15, in <module>
rank=01 L2:     savepckl=True)
rank=01 L3: TypeError: __init__() got an unexpected keyword argument
'restartfile'
rank=04 L0: Traceback (most recent call last):

I've already posted for this but did not get any reply, Any help is
appreciated.

-- 
MfG,
abhishek
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