[Pw_forum] charge density cal.

[ehsan targholi]

Excuse me . i now attach the file.


On Wed, Feb 5, 2014 at 11:08 PM, Hadi Arefi <hadi.arefi at tyndall.ie> wrote:

>  Hi,
>
>
>
> Not quite sure but I think some parameter(s) has changed in the pp.inname list in recent version compare to old ones as it was discussed while
> ago in the forum. Better you just download the new example folder as well
> or modify it based on new changes.
>
> By the way I didn't get your attachment so I think nobody did.
>
>
>
> H.
>
>
>
>
>
> *From:* pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] *On
> Behalf Of *ehsan targholi
> *Sent:* 05 February 2014 18:50
> *To:* PWSCF Forum
> *Subject:* Re: [Pw_forum] charge density cal.
>
>
>
> Dear all
>
> thanks a lot for your reply
>
> i use Example 5 of the QE-4.3.2 with espresso 5.3.2
>
> i attached my input file. pleas explore input file and guide me again.
>
>  best regard
>
> ehsan targholi
>
> graduate student of iust
>
>
>
> On Wed, Feb 5, 2014 at 9:06 PM, Manu Hegde <mhegde at uwaterloo.ca> wrote:
>
> please give the input information as well!
>
>
>
> On Wed, Feb 5, 2014 at 11:43 AM, ehsan targholi <targholi at gmail.com>
> wrote:
>
>   hi
>
> espresso users
>
> i want to obtain the charge density of si in example 5. but when i use
> pp.x calculation with &inputpp namelist, after scf , give this error:
>
>
>
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      Error in routine postproc (1):
>
>      reading inputpp namelist
>
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>
>
>      stopping ...
>
>  what is my mistake ?
>
>
>
>
>
> best regard
>
>
>
> ehsan targholi
>
> graduate student of iust
>
>
>
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