[Pw_forum] charge density cal.

[Thomas Brumme]

As suggested in the error message you have to write

&inputpp

and not

&Charges

See also

http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PP.html

Thomas

ehsan targholi <targholi at gmail.com> a écrit :

> 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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>>
>>
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>



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