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boron doped diamond example

Posted: Wed Aug 24, 2016 7:57 pm
by ejossou
Hello epw users,

I am a new user of the epw code. I am running the boron doped diamond example. I was able to run epw.in and epw2.in. When I run the epw3.in, I get the following error:

task # 0
from loadkmesh_para : error # 29
opening file meshes/path2.dat
How do I resolve this error? All response is well appreciated.

Cheers,
Ericmoore Jossou
University of Saskatchewan,
Department of Mechanical Engineering.

Re: boron doped diamond example

Posted: Wed Aug 24, 2016 8:39 pm
by carla.verdi
Dear Ericmoore

There is a small error in the example indeed - if you look into the folder diamond/epw/meshes the file path2.dat is not present, hence why the error. You can correct it by putting
filkf = 'meshes/path.dat'
(instead of path2.dat) in line 53 of epw3.in

Best
Carla