Lumen 2.1: Difference between revisions
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Updating list of changes |
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* <u>Non-linear response with the Floquet formalism:</u> in Lumen 2.1 it is possible to calculate non-linear response functions using Floquet formalism, <br> for the moment this implementation is limited to the independent particle approximation with or without quasi-particle correction. See tutorial: [[SHG from Floquet formulation]] | * <u>Non-linear response with the Floquet formalism:</u> in Lumen 2.1 it is possible to calculate non-linear response functions using Floquet formalism, <br> for the moment this implementation is limited to the independent particle approximation with or without quasi-particle correction. See tutorial: [[SHG from Floquet formulation]] | ||
* Symmetry average of the dielectric constant for q=0 momentum | * Symmetry average of the dielectric constant for q=0 momentum | ||
* Added interface to the CHASE library | * Added interface to the CHASE library as BSE solver | ||
* Added Gaussian smearing for the phonon-assisted response functions | * Added Gaussian smearing for the phonon-assisted response functions | ||
* ExcPh databases now can be loaded also if requested band ranges is smaller than available one | * ExcPh databases now can be loaded also if requested band ranges is smaller than available one | ||
===Code optimization=== | ===Code optimization=== | ||
* Memory is now distributed in the old diagonalization solver (without using the ldiago library) interfaced with scalapack | |||
* Fixed memory duplication in Slepc solver | |||
===Fixes=== | ===Fixes=== | ||
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* Fixed reading imaginary part from ndb.QP in yambo_nl | * Fixed reading imaginary part from ndb.QP in yambo_nl | ||
* Different compilation issues fixed: with intel compilers, hdf5, openACC, etc.... | * Different compilation issues fixed: with intel compilers, hdf5, openACC, etc.... | ||
* Collisions table: added missing n_sp_pol variable | * Collisions table: added missing n_sp_pol variable | ||
===More=== | ===More=== | ||
* added support to llvm compiler | |||
* upgraded interface with libxc to work with version 7.0 | |||
Revision as of 14:47, 11 June 2026
Release Notes
This is the second release of the lumen code, after the reboot based on yambo 5.3
Main new features
- 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. See tutorial: SHG from Floquet formulation - Symmetry average of the dielectric constant for q=0 momentum
- Added interface to the CHASE library as BSE solver
- Added Gaussian smearing for the phonon-assisted response functions
- ExcPh databases now can be loaded also if requested band ranges is smaller than available one
Code optimization
- Memory is now distributed in the old diagonalization solver (without using the ldiago library) interfaced with scalapack
- Fixed memory duplication in Slepc solver
Fixes
- 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
More
- added support to llvm compiler
- upgraded interface with libxc to work with version 7.0
