Bugs should be reported with Github's "issue" tab
request for features can be sent to christophersims@knights.ucf.edu
CIF2WAN
Tested:
VASP, not well tested
Quantum espresso, well tested, good
Siesta, not well tested, next on list
Abinit, tested, error in SOC case
Todo:
add magnetism
add pure CIF interface
add PP for siesta
add LDA+U for siesta
Known issues:
wannier90 convergence, wobbly bands. No way to fix, increase num_iter
Abinit SOC case, .mmn not output correctly, error at w90 interface