OrderN / CONQUEST-release

Full public release of large scale and linear scaling DFT code CONQUEST
http://www.order-n.org/
MIT License
96 stars 25 forks source link

Inadequate formatting in eigenvalue output file #256

Closed davidbowler closed 5 months ago

davidbowler commented 8 months ago

The eigenvalues.dat file has formatting that is too restricted (not enough digits) to correctly output k-point weights and numbers of k-points if we go to very large numbers (more than about 20 in each direction). This means that the DOS is not correctly found (weights) or fails when reading the file (numbers).

davidbowler commented 5 months ago

This was fixed by #257