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abinit / abipy

Open-source library for analyzing the results produced by ABINIT
http://abinit.github.io/abipy
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Where can i find WFK.nc? #218

Closed ghost closed 3 years ago

ghost commented 3 years ago

So i think it's so stupid question, but where can I find WFK.nc file, in outputs files if have only WFK file without filename extension?

gmatteo commented 3 years ago

WFK without the .nc extension is a Fortran binary file. This format is not supported by AbiPy. To produce a netcdf file i.e. WFK.nc you need to set iomode to.3 in the input file

namelessenko commented 3 years ago

WFK without the .nc extension is a Fortran binary file. This format is not supported by AbiPy. To produce a netcdf file i.e. WFK.nc you need to set iomode to.3 in the input file

thanks!