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