init keywords

Initialisation parameters

init.valGeo

Determines whether the geometry is valid or not. If the domain encompasses the atoms, their atomic charge density, their orbitals, etc. RESCU will set init.valGeo = true. To bypass this step, you may set init.valGeo = true in the input file.

type: scalar

default: false

allowed: true,false

example: init.valGeo = true