[Pw_forum] Quantum Espresso GW Help

Kanak Datta kanak at umich.edu
Fri Oct 21 22:12:57 CEST 2016


Dear researchers

I have recently started using the GW method calculation using Quantum
Espresso. I have been using version 5.2 for my calculations.

I tried to run the example for Methane quasiparticle and got the following
error:
     Error in routine pw4gww (1):
     reading inputpw4gww namelist

My input file for pw4gww is given below:
&inputpw4gww
prefix='Methane'
outdir = 'E:\Quantum ESPRESSO 64-bit 5.2.0-mpich2\Methane\outdir',
num_nbndv(1)=4
num_nbnds=5
l_truncated_coulomb=.true.
truncation_radius=7.5d0
numw_prod=50
/

As can be seen there should be no misspelled variables in the file. I took
the input description from a tutorial posted on the GWL website.

Can anyone help me in this regard?
Also, it would be really helpful if someone can help me out with an example
of the method.

Thanks
Kanak
-- 
_______________________________________
Kanak Datta
Graduate Student
Electrical  Engineering and Computer Science
University of Michigan, Ann Arbor
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