[Thermo_pw-forum] related to thermo_pw

anisha lamba anishalamba2 at gmail.com
Sat Aug 28 10:15:44 CEST 2021


Greetings,
Please suggest me, how can we calculate the elastic constant of 2D system
using thermo_pw?
i will be very thankful to you
i got an error

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine initialize_elastic_cons (1):
     Laue class not available
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 2 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.
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