Fixed eigenvalue selection, added correction calculation
Formatting, add header
-Account for occupation in correction value
-Remove redundant eigenvalue sum check
-Add electronic occupation check
-Clarify assumptions with comments
Feature: extract data directly from output file, generating temporary file
Changed sign of correction
Now accounts for all bands above reference energy
File splitting re-written:
Split -p replaced with awk
k-point files numbered logically
Number of k-points detected automatically
Convert script to function. Moved k-point weighting. Updated "usage" details.
Create README.md
Merge branch 'release/1.0'