[Pw_forum] error in optic properties

ashkan shekaari shekaari at gmail.com
Wed Jul 30 12:00:45 CEST 2014


i had this kind of error

it does gonna help you

try it

On 7/30/14, Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr> wrote:
> On 07/30/2014 11:07 AM, ashkan shekaari wrote:
>> in the files scf.in and nscf.in always use     wf_collect=.true.    in
>> &CONTROL section
>>
>
> Please don't: it is not necessary in this case and will slow the
> calculation down and use more memory.
>
> And please stop giving random advice, I understand your good willingness
> but performing a DFT calculation is not like photo retouching, where you
> just tweak random parameters until it looks good.
>
> kind regards.
>
> --
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> +33 (0)1 44 275 084 / skype: paulatz
> http://www.impmc.upmc.fr/~paulatto/
> 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
>
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>


-- 
Best wishes
Ashkan Shekaari




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