I should add few lines in workchain to recognize KSPACING and KGAMMA tags in protocol:
if 'KSPACING` in self.ctx.paramaters:
# construct KpointsData based on it
It is necessary improvements because if user wants to alter it within stages, it could be possible.
A common use case, is that, we want to have final static run with finer mesh.
Then, we can provide a constant KSAPCING as inputs within submit script and also have it in the protocl. If there is none in any stage, we use the provided one as input, if there is one in protocol, we replace it.
I should add few lines in workchain to recognize
KSPACINGandKGAMMAtags in protocol:It is necessary improvements because if user wants to alter it within stages, it could be possible. A common use case, is that, we want to have final static run with finer mesh. Then, we can provide a constant
KSAPCINGas inputs within submit script and also have it in the protocl. If there is none in any stage, we use the provided one as input, if there is one in protocol, we replace it.