Independent k/q meshes in RTA case, improve storage of velocities in memory #229
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jcoulter12 wants to merge 13 commits intodevelopfrom
Open
Independent k/q meshes in RTA case, improve storage of velocities in memory #229jcoulter12 wants to merge 13 commits intodevelopfrom
jcoulter12 wants to merge 13 commits intodevelopfrom
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…, also do not store group velocities for intermediate bands in the case where adaptive smearing is not used (at least, for el transport)
…in el wannier app
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Updates to allow the code to scale to larger system sizes, including more conservative allocation of band velocities for intermediate phonon states when using the RTA for electrons, and also the ability to use separate k and q meshes in the RTA electron BTE case.
Further acceleration of the intermediate phonon state calculation when using RTA with different k/q should be investigated. Using the Kokkos batched functions with chunks of q points would be faster than the current implementation.
Thanks to @MSimoncelli and @SiyuChen for pointing out the need for this in Issue #225