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ACFDT-RPA total energies

Available only in VASP.5.X. The present manual refers to vasp.5.4.1 and newer releases. We strongly urge to upgrade to that version prior to any RPA calculations, because the frequency integration has been significantly improved.[122] For details on the implementation and the use of the ACFDT-RPA routines we recommend the following literature Ref. [119,120,121,122]. The low scaling algorithm is present only available within collaborative projects (see Ref. [123]). It is only faster from 16 atoms onwards, although with many k-points the break even point is sometimes reached already around 4-8 atoms per unit cell.



Subsections

N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at