[Pw_forum] charge density cal.

[ehsan targholi]

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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