Deorbitalized functionals
Hello,
Is there a way of determining whether a meta-GGA functional is deorbitalized? In other words, whether the functional requires orbital tau as input.
There is a parameter XC_TAU_EXPLICIT but I can't figure out how to use it. There was also a flag XC_FLAGS_NEEDS_TAU added here but it's not in the released version.
We have partially deorbitalized meta-GGA implemented in our code which uses the orbital tau as input but an approximate KED functional for the derivative. This could cause a problem if a user selects a functional which is already deorbitalized.