[Pw_forum] Order of Total Energy in SCF calculations

[Manu Hegde]

Dear Lorenzo,
Thanks for your reply and suggestion.
Manu


On Sat, Dec 21, 2013 at 7:03 AM, Lorenzo Paulatto <
lorenzo.paulatto at impmc.upmc.fr> wrote:

> On 12/21/2013 01:35 AM, Manu Hegde wrote:
> > Hello,
> > Here is my new input file and output file. Now I am getting some
> > reasonable values of total energy!. Hope my things are working better!
>
>
> Dear Manu,
>
> QE works according to the GIGO principle:
>
> --
> garbage in, garbage out [¦gär·bij ′in ¦gär·bij ′au̇t] (computer science)
> A phrase often stressed during introductory courses in computer
> utilization as a reminder that, regardless of the correctness of the
> logic built into the program, no answer can be valid if the input is
> erroneous. Abbreviated GIGO.
> --
> McGraw-Hill Dictionary of Scientific & Technical Terms, 6E, Copyright ©
> 2003 by The McGraw-Hill Companies, Inc.
> --
>
>
>
>
> --
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> phone:+33 (0)1 44275 084 / skype: paulatz
> www:  http://www-int.impmc.upmc.fr/~paulatto/
> mail: 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 5
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>
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