[Pw_forum] Getting error in pp.x run

Sourav Mondal souravchembwn at gmail.com
Mon Apr 25 11:59:01 CEST 2016


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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