sigma.x complains WFN_inner does not exist

[Erik fp]

Hi all. 

I'm new to this and I've just finished running epsilon and naturally wanted to run sigma.x. However, I get an error saying WFN_inner does not exist, but I can't find any reference to this file anywhere? I'm even using the same flags and setup for the pw2bgw.in file as seen on github for both silicon and MoS2, but the file is nowhere to be found. Am I missing something? 

Kind regards,

Erik

[Mauro Del Ben]

Hi Erik,

This usually means that the wavefunction file generated by pw2bgw.x has a different name than what sigma.x is expecting. By default, sigma.x looks specifically for a file called WFN_inner.

In many cases, pw2bgw.x instead produces a file named simply WFN (or something similar, depending on your input). If that’s the case, you can just rename the generated wavefunction file to WFN_inner

Best

-M

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[Erik fp]

Hi Mauro, 

Thank you for your reply. I ended up doing exactly what you said and it worked, although I am getting multiple errors regarding the kpoints grid that don't make much sense to me. 

Best,

Erik