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 <[email protected]>
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 <[email protected]>
> 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
>>
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>>
>
>
>
> --
> 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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