[Pw_forum] Getting error in pp.x run

[Sourav Mondal]

Dear Paolo,

    Thanks for your suggestion. It works for me. I ran it in two steps and
it was running fine.

Thanks
--------------------------------------------
Sourav Mondal
PhD Student
JNCASR , Bangalore
Pin- 560064
India

On Tue, Apr 26, 2016 at 1:16 AM, Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> Not sure why it doesn't apear in the printout, but if you look for the
> message "read above" where it occurs (file PP/src/chdens.f90), you will
> find the following lines:
>
>              WRITE(stdout,'(/"BEWARE: plot requiring G-space
> interpolation",&
>                             &" not implemented for Gamma only!",/, &
>                             &"SOLUTION: restart this calculation with", &
>                             &" emtpy namelist &inputpp")')
>              CALL errore ('chdens','Not implemented, please read above',1)
>
>
> Paolo
>
> On Mon, Apr 25, 2016 at 11:59 AM, Sourav Mondal <souravchembwn at gmail.com>
> wrote:
>
>> Dear Sirs,
>>
>>   I want to generate STM images using Quantum espresso but I am facing
>> difficulties in running pp.x. I have run a scf calculation to generate
>> output files before running pp.x. scf calculation was terminated
>> normally.But when I have tried to run the pp.x, I got the following type of
>> error
>>
>>
>>
>>
>>
>>
>> *%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%     Error in
>> routine chdens (1):     Not implemented, please read
>> above %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>> stopping .*..
>>
>> I have tried to run with different version of espresso but in every case
>> I got the same error.
>>
>> I am attaching files with this mail  :
>>
>> 1. input for scf calculation
>> 2.input for pp.x run
>> 3. output of pp.x
>>
>> Input for scf has 545 atomic coordinates. This is an input for a slab
>> calculation of two layer thickness.
>>
>> Please help me to sort out this problem.
>>
>> Thanks
>> --------------------------------------------
>> Sourav Mondal
>> PhD Student
>> JNCASR , Bangalore
>> Pin- 560064
>> India
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
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>
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