Lumen 2.1

Release Notes

This is the second release of the lumen code, after the reboot based on yambo 5.3. A Partial sync with branch 5.4 of the yambo code was done.

Non-linear response with the Floquet formalism: in Lumen 2.1 it is possible to calculate non-linear response functions using Floquet formalism,
for the moment this implementation is limited to the independent particle approximation with or without quasi-particle correction.
Tutorial: SHG from Floquet formulation

Exciton symmetries: Lumen 2.1 is now able to detect the point group of the system based on the list of symmetry operations. It is then possible to compute exciton symmetries via ypp after solving BSE with diagonalization solver.
Tutorials: Excitons symmetries in LiF; Excitons symmetries in 2D-hBN

Exciton radiative lifetimes: old implementation of exciton radiative lifetimes in ypp has been recovered.
Excitonic TR-ARPES: with ypp it is possible to compute TR-ARPES from BSE post-processing
Exciton-exciton transitions: with ypp it is possible to compute exciton-exciton transitions from BSE post-processing
Coded symmetry average of the dielectric constant for q=0 momentum
Added interface to the CHASE library as BSE solver
In spin polarized systems, it is now possible to get the contribution of a given spin-channel to absorption
Added Gaussian smearing for the phonon-assisted response functions
Added preliminary support for system with non-symmorphic symmetry operations. At present the database conversion can be done, and later the non-symmorphic symmetry operation can be removed via ypp
Added support to Covariant dipoles in shifted grids with multiple shifts
Plotting of exciton wave-function: it is now possible to plot both fixed electron and fixed hole case. Moreover it is possible to plot the coefficients of the excitonic WF in k-space. File bxsf is produced.
Ypp now prints the absolute value of the dipoles

Memory is now distributed in the old diagonalization solver (without using the ldiago library) interfaced with scalapack
Fixed memory duplication in Slepc solver
I/O in BSE can now be controlled by input as none/low/medium/high

Fixed compilation on MacOsX
Fixed reading imaginary part from ndb.QP in yambo_nl
Different compilation issues fixed: with intel compilers, hdf5, openACC, etc....
Collisions table: added missing n_sp_pol variable
Fixed missing variable in the ndb.QP_interpolated database

added support to llvm compiler
upgraded internal version of the following libraries: libxc, slepc, petsc, devxlib
upgraded interface with libxc to work with version 7.0, and to handle different versions (with different API)
upgraded interface with slepc/petsc to handle different versions (with different API)
ExcPh databases now can be loaded also if requested band ranges is smaller than available one
support for BSE with frozen states improved