EPW Forum

Hi,

What is the cause of the error "dis_spheres_first_wann is larger than num_bands-num_wann+1" ? What is the quantity dis_spheres_first_wann?

For a semiconductor as an example I get this error if I use occupations = 'fixed', but if I add a small gaussian smearing instead I dont get this error.
I also encounter this problem when trying to run epw for a metal with gaussian smearing. I am not sure how this is at all related to smearing.

I have also read here on the forum that one should rebuild epw twice to get rid of the problem. I have tried that, but it did not help.

Thanks in advance,
Chris

Dear Chris,

This was an issue with an older version of Wannier90 with the number of bands vs the number of asked Wannier function. If you have the most recent QE 6.1 and EPW 4.2, this should not be an issue.

You can find download information and installation at http://epw.org.uk/Main/DownloadAndInstall

Best,

Samuel

Hi,

It do works fine on QE 6.1 and EPW 4.2. Thank you for your reply.

Best regards,
Chris