Created the BandgapWorkChain as a subclass of SiestaBaseWorkChain.
I think this is a powerful way to construct WorkChains when only a small post-process or pre-process are required. Therefore, on top of being useful, this WorkChain has also a "didactic" purpose.
Also a little change in the handling of error has been added. The problems concerning the bands
parsing has been extended to treat the case when an incomplete bands file is retrieved. This error and the complete absence of bands file are now recognized by SiestaBaseWorkChain and a specific error is returned.
Missing the documentation.
Created the BandgapWorkChain as a subclass of SiestaBaseWorkChain. I think this is a powerful way to construct WorkChains when only a small post-process or pre-process are required. Therefore, on top of being useful, this WorkChain has also a "didactic" purpose. Also a little change in the handling of error has been added. The problems concerning the bands parsing has been extended to treat the case when an incomplete bands file is retrieved. This error and the complete absence of bands file are now recognized by SiestaBaseWorkChain and a specific error is returned. Missing the documentation.