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ELPH WF CACHE PREFILL

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Revision as of 12:23, 18 June 2026 by Miranda.henrique (talk | contribs) (Improve ELPH_WF_CACHE_PREFILL: fix TAGDEF/DISPLAYTITLE formatting, expand body, add ELPH_WF_CACHE_MB link, remove ELPH_TRANSPORT)

Template:DISPLAYTITLE ELPH_WF_CACHE_PREFILL = logical
Default: ELPH_WF_CACHE_PREFILL = .TRUE. 

Description: Pre-fills the wavefunction cache before the main electron-phonon loop begins.



When computing electron-phonon matrix elements, VASP caches wavefunctions fetched from remote MPI ranks (see ELPH_WF_CACHE_MB). With ELPH_WF_CACHE_PREFILL = .TRUE. (the default), all required wavefunctions are gathered into the cache in a single communication phase before the main loop starts. This means the loop itself runs with little or no inter-rank MPI traffic.

Setting ELPH_WF_CACHE_PREFILL = .FALSE. disables pre-filling; wavefunctions are then fetched on demand during the loop. This reduces the upfront communication cost but increases total MPI traffic and is generally slower.


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