[Pw_forum] BUG in NEB calculations with tefield=true

Maxim Skripnik maxim.skripnik at uni-konstanz.de
Thu Nov 16 14:09:02 CET 2017


Dear Lorenzo and Paolo,

the QE versions I've used were compiled with following libraries/compilers:

a) QE 6.0
compiler/intel/16.0
numlib/mkl/11.3.4
mpi/openmpi/2.0-intel-16.0

b) QE 6.1
compiler/intel/15.0.3
numlib/mkl/11.2.3
mpi/openmpi/2.0.3-intel
fftw/3.3.6-pl2

Best regards
Maxim Skripnik



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