[Pw_forum] ph.x error

[stefano de gironcoli]

dear Tushar Gupta

   the message says the code could not find a file.
   is the file there at the end of the scf run ?

   by the way remember that the units of degauss are Rydberg!

   0.2 Ry = 2.7 eV is a huge smearing, even with m-v smearing type I 
would expect a significant effect and in any case you should then 
include many more bands so that the occupation number is decayed to zero 
before you stop summing. use verbosity='high' to monitor the occupation 
numbers if you are not sure.

   stefano

   On 25/05/2016 20:42, Tushar Gupta wrote:
> why is the following error coming on running the ph.x code:
>
> Program PHONON v.4.3.2     starts on 25May2016 at 21:26:56
>
>      This program is part of the open-source Quantum ESPRESSO suite
>      for quantum simulation of materials; please cite
>          "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
>           URL http://www.quantum-espresso.org 
> <http://www.quantum-espresso.org/>",
>      in publications or presentations arising from this work. More 
> details at
> http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO
>
>      Parallel version (MPI), running on     1 processors
>
>      Ultrasoft (Vanderbilt) Pseudopotentials
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from pp_check_file : error #       2
>      file /home/vipin/tmp/rhodium.save not found
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      stopping ...
> --------------------------------------------------------------------------
> MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
> with errorcode 0.
>
> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
> You may or may not see output from other processes, depending on
> exactly when Open MPI kills them.
> --------------------------------------------------------------------------
> ~
> have a look at my attached input/output files.
>
> */_Tushar  Gupta._/*
>
>
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