diff --git a/readme.org b/readme.org index 38197e1..44f524b 100644 --- a/readme.org +++ b/readme.org @@ -14,5 +14,5 @@ BerryPI 1.0 The present version is restricted to cases when the lattice vectors correspond to cartesian directions. For example, the zinc-blend or NaCl structures should be regarded as an 8 atom cell instead of the conventional 2 atom basis. * To Do -- Non-orthogonal lattice vectors: Extendting the capability of "BerryPI" to computing of polarization for structures with non-orthogonal lattice vectors +- Non-orthogonal lattice vectors: Extending the capability of "BerryPI" to computing of polarization for structures with non-orthogonal lattice vectors - Band by band decomposition: Provide analysis of contribution from individual electronic bands (or their range) to the electronic polarization. The present version enables calculation of the Berry phase for a given band range (-b switch), but more testing need to be performed.