mirror of https://gitlab.com/QEF/q-e.git
35 lines
1.5 KiB
Plaintext
35 lines
1.5 KiB
Plaintext
--------------------------------------------------------------------------
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[[44635,1],0]: A high-performance Open MPI point-to-point messaging module
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was unable to find any relevant network interfaces:
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Module: OpenFabrics (openib)
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Host: bionano2
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Another transport will be used instead, although this may result in
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lower performance.
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NOTE: You can disable this warning by setting the MCA parameter
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btl_base_warn_component_unused to 0.
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--------------------------------------------------------------------------
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PROGRAM: band_interpolation
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Interpolation method: idw-sphere
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The uniform grid contains 864 q-points and 8 bands
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Crystal lattice vectors found
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Ra: -0.5000 0.0000 0.5000
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Rb: 0.0000 0.5000 0.5000
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Rc: -0.5000 0.5000 0.0000
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Reciprocal lattice vectors found
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Ga: -1.0000 -1.0000 1.0000
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Gb: 1.0000 1.0000 1.0000
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Gc: -1.0000 1.0000 -1.0000
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1 symmetry operations found
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--- Inverse distance weighting (IDW) interpolation method ---
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The inverse distance to the 7th power will be used in weights
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Input scale factor: 4.000000
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Minimum spacing between the uniform grid points: 0.144338 (cart. coord. in units 2 pi/alat)
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Scaled sphere radius: 0.577350 (cart. coord. in units 2 pi/alat)
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writing band structure on idw-sphere.dat
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