Hi everyone,
I'm working on iron with "prtnabla". I use ATOMPAW v.3.0 to generate the PAW pseudopotential. With ATOMPAW, I put in the option prtcorewf to optain the core-wavefunction for a files formatted for abinit. It seems to work fine with the option prtnabla=1. When I use prtnabla=2 to include the core wavefunction, I change the name of the core wave function file obtained from ATOMPAW to be corewf.dat (according to what the source code will read). It stops with an error
At line 242 of file ../../../src/66_paw/optics_paw_core.F90 (unit = 100, file = 'corewf.dat')
Fortran runtime error: End of file
since there is not much information about prtnabla=2, I can't find the way to fix it. I suspect this error comes from the format of the "corewf.dat" file.
Does anyone know what causes this error? Please let me know if the input file is needed. Thanks for any helps in advance.
Jiramate Changklom
core wavefunction
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