[salmon-user:00299] file.cif to file.inp

[Edwin Obune]

Dear Salmon User(s),

I hope this email will find you well.

I got the following error message when I executed the salmon program. I used the cif2salmon.py to convert Vesta file.cif to salmon file.inp

I got this error:

##############################################################################
# SALMON: Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience
#
#                             Version 2.1.0
##############################################################################
  Libxc: [disabled]
Error in input: Reduced coordinate is invalid for isolated systems.

Attached is my file.cif file and file.inp file.

Please give me some advice.

Thanks for your help.

Edwin Obune

Graduate Student

Department of Physics

University of Alabama, 

Huntsville, USA