Code review comment for lp:~jose-soler/siesta/unfolding
Revision history for this message
| Alberto Garcia (albertog) wrote | # |
© 2004
Canonical Ltd.
•
Terms of use
•
Data privacy
•
Contact Launchpad Support
•
Blog
•
Careers
•
System status
•
73416ba
(Get the code!)
I have a few comments:
Options 'SaveHS T' and 'COOP.Write T' are implied in the README file as being somewhat equivalent for the purposes of the Unfolding tool, but COOP.Write involves an extra further diagonalization in the whole BZ, which could potentially be expensive, apart from the extra writing of a potentially large wavefunction file. This might be noted in the README, or the mention to COOP.Write removed.
A short "guide to the examples" might be welcome. Some of Si examples appear to be the ones used in the paper, but the purposes or features of others (the "Atom" ones) are a bit mysterious.
Is it possible to merge this also in 4.1, or are there any specific features from 'trunk' used? The unfolding feature will get more exposure, as 4.1 is about to come out of beta.