Dear developers and users I need to calculate work function of a semiconductor. I have not done this calculation before. I tried to complete the MgO example in the web (2016-work shop by prof. Blaha) and watched the video too. It explains the way for creating supercell nicely and I could generate the seven layer supercell with a gap. But after that I am lost. Can anyone tell me what I have to do next please? I tried running scf, but it crashed with the error "stop error: the required input file super.in0 for the next step could not be found" Can I do this for systems with hubbard U and Spin Orbital coupling, If possible how I should add them?Thank you in advance. Prasad
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