[Pw_forum] two program logic questions in TDDFPT

kuilin lu lukuilin at gmail.com
Wed Apr 18 14:21:03 CEST 2012


Dear Simon,

   Thanks a lot for your explanation, it really makes me more
understanding of the program.  I'm lucky to have my question solved.

Best Wishes,
Kuilin Lu

On 4/17/12, Simon Binnie <sbinnie at sissa.it> wrote:
> Thanks. You are right about the duplicated zcopy line, it is rather
> pointless to perform the same copy twice in a row. It's not necessary to
> copy sevc1_new though as far as I can see, since this is only really used
> as a workspace within lr_apply_liovillian. The only thing that is
> important is to make sure that evc1_new gets copied so evc1_old can then
> be properly updated.
>
> Best regards,
>
> Simon
>

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Kuilin Lu, Ph.D student
College of Materials Science and Engineering
Hunan University
Changsha 410082
China
E-Mail: lukuilin at gmail.com
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