This page is destined to be a sandbox for ongoing work to improve the naming of and default values for abinit input variables

General philosophy

General philosophy:

We should move towards more useful defaults, and cull some which are counter productive or too specific

default for ionmov should now be 22

default for ntime should be 20

default for shiftk/q should be 0 0 0 Automatically detect the value depending on space group.

nnsclo should be switched to 1 if MD/RELAX beyond the first step

[temporary] Use useria to decrease the number of times the SCF cycle must be converged from 2 to 1. Only for MD.

symsigma defaults to 1