[go: up one dir, main page]

Menu

Code Commit Log


Commit Date  
[r419] by paulatz

bugfix

2018-03-06 14:50:14 Tree
[r418] by paulatz

possibility to spacify a plane of kpoints:

QPOINTS plane
n1 n2
e1x e1y e1z
e2x e2y e2z
q0x q0y q0z

2018-03-06 11:31:56 Tree
[r417] by paulatz

cleanup

2018-03-06 11:31:08 Tree
[r416] by paulatz

Optimization done with the highest smearing and highest temperature, which should be fool-proof

2018-02-02 15:30:28 Tree
[r415] by paulatz

Optimized grids working properly in parallel, also done using normalized contribution of each band, which prevents loss of precision for bands with very low linewidth. I'm not sure it was worth, it works better with very small smearing.

Important note: the first value of smearing fro mthe list is used to impose the condition!

2018-02-02 15:13:46 Tree
[r414] by paulatz

Avoid recomputing the frequencies inside isotope_scattering, this is required to have the correct energy when using LO-TO split along a path

2018-02-01 14:57:53 Tree
[r413] by paulatz

More about final state, now the smearing used for the energy axes is no more hardcoded to 1/100 of the max energy, it cn be specified in input with the sigma_e variable, otherwise it defaults to 5*de

2018-02-01 14:57:01 Tree
[r412] by paulatz

More changes related to the final_version polishing

2018-02-01 14:56:04 Tree
[r411] by paulatz

Final state polished, now it outputs also the decomposition of the final state of scattering and cohalescence events, it uses the forumlation with the gaussians that only computes the imaginary part of the self energy, the other code (that uses the full self energy) is still there to be put polished back before final version

2018-02-01 14:55:44 Tree
[r410] by paulatz

Little fixes, preparing parallelization of optimized grids

2018-02-01 14:54:23 Tree
Older >