improve documentation of LatticeVectors input parameter
In case both LatticeVectors
and LatticeParameters
are defined, we should clarify how the unit cell is constructed by Octopus. A couple of questions which I can’t find explicit answers for in the documentation:
- Does
LatticeVectors
need to be normalized by the user? - Does
LatticeVectors
change the size of unit cell parameters defined byLatticeParameters
?
Also, the tutorial is not correct on this: “LatticeVectors defines the direction of the vectors, while LatticeParameters defines their length.” From that statement I expect the the answers to the questions above to be
- No
- No
which is apparently not the case!
Edited by Meisam Tabriz