Skip to content

I am trying to design an electrode and I already have siesta compiled on my computer.

emy sh requested to merge emysh123/siesta:emysh123-master-patch-14669 into master

I am trying to design an electrode and I already have siesta compiled on my computer. When I run siesta --electrode < electrode.fdf | tee electrode.out I get the error.

Reading PAOs and KBs from ascii filess.. at line 389 of file /siesta/src/basis_io.F (unit =13) Fortran runtime error: can't open file "O.ion": No such file or directory

Could you please advise me how can I solve this problem.

I was wondering what might cause the problem. Thank you

Details

Please detail what this MR introduces

  • Describe in details what this MR does? (link to the issue by writing # here)
  • Does this MR change the behaviour of any fdf-flags? If so, ensure this is documented in the manual
  • If new fdf-flags are added, please add thorough descriptions to the manual
  • add a summary sentence in the ReleaseNotes.md file
  • if this breaks compatibility, add mentions to the Docs/compatibility.tex

Why is it needed

Authors

Edited by emy sh

Merge request reports