Fundamental I/O routines

w90utils.io.read_eig(fname)

Read EIG file.

w90utils.io.write_eig(fname, eig)

Write \(E_{n\mathbf{k}}\) to EIG file.

w90utils.io.read_hamiltonian(fname)

Read EIG file and return k-dependent Hamiltonian matrix.

w90utils.io.read_amn(fname)

Read AMN file.

w90utils.io.write_amn(fname, amn[, header])

Write \(A^{(\mathbf{k})}_{mn}\) to AMN file.

w90utils.io.read_mmn(fname)

Read MMN file

w90utils.io.write_mmn(fname, mmn, kpb_kidx, …)

Write \(M^{(\mathbf{k},\mathbf{b})}_{mn}\) to MMN file
w90utils.io.read_eig(fname)[source]

Read EIG file.

Parameters

fname (str) – path to EIG file

Returns

ndarray, shape (nkpts, nbnds, nproj)

w90utils.io.write_eig(fname, eig)[source]

Write \(E_{n\mathbf{k}}\) to EIG file.

Parameters

  • fname (str) – path to EIG file

  • eig (ndarray, shape (nkpts, nbnds)) –

w90utils.io.read_hamiltonian(fname)[source]

Read EIG file and return k-dependent Hamiltonian matrix.

Parameters

fname (str) – path to EIG file

Returns

ndarray, shape (nkpts, nbnds, nbnds)

w90utils.io.read_amn(fname)[source]

Read AMN file.

Parameters

fname (str) –

Returns

ndarray, shape (nkpts, nbnds, nproj)

w90utils.io.write_amn(fname, amn, header='HEADER')[source]

Write \(A^{(\mathbf{k})}_{mn}\) to AMN file.

Parameters

  • fname (str) –

  • amn (ndarray, shape (nkpts, nbnds, nproj)) –

  • header (str) –

w90utils.io.read_mmn(fname)[source]

Read MMN file

Parameters

fname (str) –

Returns

ndarray, shape (nkpts, nntot, nbnds, nbnds)

w90utils.io.write_mmn(fname, mmn, kpb_kidx, kpb_g)[source]

Write \(M^{(\mathbf{k},\mathbf{b})}_{mn}\) to MMN file

Parameters

  • fname (str) –

  • mmn (ndarray, shape (nkpts, nntot, nbnds, nbnds)) –