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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