abinit / abipy / 1242 / 2
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LAST BUILD BRANCH: workflow_refactoring
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coverage: 89.251% (+0.02%) from 89.229%
ABIPY_INSTALLER=conda ABIPY_COVERALLS=yes

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gmatteo 
New plotting options in sigeph (#160)

* Added two options to anaget_phbst_and_phdos_files: 1. qppa to choose the qmesh to evaluate the DOS based on points per reciprocal atom. 2. line_density to choose the density of qpoints along the high-symmetry path.

* Moved the two additional options for phonon bandstructure and dos calculations one level lower: inside AnaddbInput.phbands_and_dos so it can be used from other places.

* Added dossmear when using qpra

* Fixed typo in sigeph leading to the imaginary part being added to the real part.

* Added optinal argument to AnaddbInput and anaget in ddb to perform spell check.

* Handle the 0K limit for the thermodynamic quantities.

* Added functions to plot linewidth density of states and scatter plot of linewidth.

* Propagate function and reim options to the SigePhRobot.

* Interpolate the lifetimes to a kmesh.

* Pass a function to apply to the lifetimes before plotting.

* New recipe to plot band-structure and lifetimes side-by-side.

* Added option to slect band indexes to interpolate in ebands. Fixed band range in plot_qpbands_ibzt in SigEph.

* Map the calculated self-energies to a band block before SKW interpolation.

* Added params method in OutNcFile class.

* Default for markersize in lifetimes plot and possibility to change it.

* Propagate exchange_xy to the labels of plot_lws_vs_e0 in ElectronBands.

* Address the code review by MG and fix bug in get_linewidth_dos.

27310 of 30599 relevant lines covered (89.25%)

0.89 hits per line

Source Files on job 1242.2 (ABIPY_INSTALLER=conda ABIPY_COVERALLS=yes)