[Wannier] Error on MoS2 mono layer

venky somepalli venkiphy16 at gmail.com
Thu Oct 18 14:55:39 CEST 2018


Respected sir,
I am working on MoS2, new to quantum-expresso and wannier90.
Could you help me to overcome this problem; Here, I attached the input
files.
Program PW2WANNIER v.6.0 (svn rev. 13079) starts on 18Oct2018 at 14: 9:56

     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",
     in publications or presentations arising from this work. More details
at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on     1 processors

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine pw2wannier90 (5010):
     reading inputpp namelist
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 1.

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.
--------------------------------------------------------------------------
*regards*
*Venkateswarlu Somepalli,*
Laboratoire de Physique Théorique et Modélisation (LPTM )
Université de Cergy-Pontoise
CERGY-95302,
FRANCE.
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