the indices of inter-cite couples (for DFT+U+V) without
computing Hubbard U and V parameters. This is useful for
cases when DFT+U+V is used for large supercells (U and V
can be computed for a primitive cell and then ported to
a supercell with the correct indices for couples).
2) Small bugfix in PHonon+U in the spin-polarized case
(symmetrization of the response occupation matrix when
the Hubbard channel is "s", which is never the case,
but in principle can be chosen as such).
2. Extension of the XSpectra code to DFT+U+V
3. Hubbard forces and stress: now the (ortho-)atomic orbitals
are read from file (and not recomputed as before)
4. Added examples for the DFT+U+V case in PW and HP
5. Various other small improvements and optimizations
To make things safer, I added a note that HP and PHonon+U
are in the experimental stage. The codes work but they were
not tested in all possible 1001 cases...
1) Remove PP files from examples of TDDFPT, use an automatic
download of PPs from the QE web site;
2) TDDFPT examples are now in the standard format of QE
(using run_example scripts);
3) Fix the bug in TDDFPT+EXX due to recent changes in PW (fft_fact);
4) The ecutfock parameter in TDDFPT+EXX is now read from XML and
cannot be specified from the input of TDDFPT;
5) In TDDFPT the oscillator strength (absorption coefficient)
is now written in a separate file (and not in the same file
where \chi is written);
6) HP examples use PPs from the Pslibrary by an automatic
download from the QE website.
Iurii Timrov