mobility calculation
Posted: Tue Jul 30, 2024 5:12 pm
Hello dear experts and users
I try to execute the tutorial of the school of 2024 , Exercise 2 done in Wednesday dedicated for drift mobility the epw1.in is stopped at this stage.
I think that is related to flikf and fliqf files defined in the tutorial file.
Can someone help me to solve this error.
Ilias
Best
I try to execute the tutorial of the school of 2024 , Exercise 2 done in Wednesday dedicated for drift mobility the epw1.in is stopped at this stage.
I think that is related to flikf and fliqf files defined in the tutorial file.
Can someone help me to solve this error.
Code: Select all
Bloch2wanp: 7 / 12
Bloch2wanp: 8 / 12
Bloch2wanp: 9 / 12
Bloch2wanp: 10 / 12
Bloch2wanp: 11 / 12
Bloch2wanp: 12 / 12
Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file
===================================================================
Memory usage: VmHWM = 118Mb
VmPeak = 617Mb
===================================================================
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine loadqmesh_serial (1):
Cannot load fine q points
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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.
-------------------------------------------------------------------------Ilias
Best