Function QCM::set_basis

• Defined in File QCM.cpp

Function Documentation

void QCM::set_basis(vector<double> &basis)

defines the physical basis of the unit cell of the model.

Sets the working basis (a Dx3 real matrix).

By default, the cartesian basis is used and this function does not always need to be called.

Parameters:

basis – flattened array of the basis vectors (0, 3, 6, or 9 components). These are the components of the Bravais lattice vectors in the ‘physical’ basis, i.e., as they appear in space.