[Wien] struct2cif for diamond lattice
Stefaan Cottenier
Stefaan.Cottenier at UGent.be
Mon Oct 28 18:27:10 CET 2013
Dear wien2k community,
There might be a small bug in struct2cif, as it crashes on this test:
cp $WIENROOT/example_struct_files/silicon.struct test.struct
x sgroup
cp test.struct_sgroup test.struct
x struct2cif
" Error, displacment 0.750000000000000 not understood
Error with symmetry"
This happens whenever struct2cif is applied to a diamond lattice.
Stefaan
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