Hi,
I am using QE 5.1.2 pwscf to calculate the energy for p-carborane but
have runinto trouble. I am using a Macbook Pro with Yosemite O.S. and have
used example01/run_example as the model. I inserted by data for the scf
part of the file and removed the rest. The program does not compile and
even though ibrav=0 it does not recognize the CELL_PARAMETERS after
K_POINTS. If I put the CELL_PARAMETERS after &electrons it doesn't
complain but ignores them. The compressed version of the file is atached
to the message.
Any help would be much appreciated.
Amos Leffler
run_example2.Z
Description: Unix compressed data
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