Dear Nick, Alberto,
Thanks for the hints and directions. I can now go further :)
Best regards,
toma
On Thu, Dec 17, 2020 at 10:21 PM Nick Papior wrote:
>
> Like I said.
>
> COMP_LIBS should only contain specific library names. No paths.
>
> Also, you still have redundancies... ;)
>
> Delete
Sorry I meant IT DID NOT WORK FOR ME.
1-Also may I ask for the latest denchar manual or latest tutorial? I could not
find what you have recently suggested
2-How to read WFSX files? Because I thought I should be reading from the EIG
files where the number represents the eigenvalue number from
Really appreciate both suggestions.
1. I did previously what Nick suggested but for some reason denchar found
there were no energies between -5 and -4 eV even though in the eigenvalue files
there are values there and in addition the fermi level was -4.5 eV.
2. I am trying your suggestion
