Re: Resuming mpb calculations
"Steven G. Johnson" <[email protected]> Tue, 31 Jul 2012 09:49:24 -0500
| Newsgroups | gmane.comp.science.photonic-bands |
|---|---|
| Message-ID | <[email protected]> |
On Jul 29, 2012, at 4:37 PM, Amnon Willinger wrote: > Is there a way to resume calculations of a ctl script after mpb stopped or crashed? I mean to resume it from the last k-point and band it last calculated and cary through till the end? > You can't restart at a particular band, but you can certainly just skip the first few k-points. For example, you could write the following routine: (define (list-skip L n) (if (> n 0) (list-skip (cdr L) (- n 1)) L)) and then do: (set! k-points (list-skip k-points N)) to skip the first N k-points. _______________________________________________ mpb-discuss mailing list [email protected] http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss