[Pw_forum] Getting error in pp.x run

[Sourav Mondal]

Dear all,

  I am sorry to say that I have attached wrong input in my previous mail.
Please check the files now. I have kept the same prefix name in all cases.

1. input for scf calculation
2.input for pp.x run
3. output of pp.x


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

On Mon, Apr 25, 2016 at 4:18 PM, Arles V. Gil Rebaza <arvifis at gmail.com>
wrote:

> dear Sourav, the prefix='Au_Ge' of the PP input file, must be equal of the
> SCF input file (prefix = 'Au_Ge-stm'). Please read the QE manual.
>
> Best
>
> Arles V. GIl Rebaza
> IFLP - Argentina.
>
> 2016-04-25 6:59 GMT-03:00 Sourav Mondal <souravchembwn at gmail.com>:
>
>> 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
>>
>
>
>
> --
> ###--------->   Arles V.   <---------###
>
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