I agree with most changes, except those mentioned in the comments below. One is cosmetic, the other I think it leads to wrong behavior.
Beyond these, I have some other cosmetic comments in the code:
- Change 'adviced' to 'advised' (this comes from earlier commits)
- In the new output of Eig2DOS, a message appropriate for nspin=1 is missing. It would print
"# Eigenvalues calculated from a spin-polarized calculation"
I agree with most changes, except those mentioned in the comments below. One is cosmetic, the other I think it leads to wrong behavior.
Beyond these, I have some other cosmetic comments in the code:
- Change 'adviced' to 'advised' (this comes from earlier commits)
- In the new output of Eig2DOS, a message appropriate for nspin=1 is missing. It would print
"# Eigenvalues calculated from a spin-polarized calculation"