manual   quickstart   instguide   update   basis

Next: 17.2.8 Dump integrand values(DFTDUMP) Up: 17.2 Directives Previous: 17.2.6 Exchange-correlation potential (POTENTIAL)   Contents   Index   PDF

17.2.7 Grid blocking factor (DFTBLOCK)

DFTBLOCK,nblock

Respecify the number of spatial integration points treated together as a block in the DFT integration routines (default 128). Increasing nblock may enhance efficiency on, e.g., vector architectures, but leads to increased memory usage.



molpro@molpro.net 2017-12-14