[CPMD-list] space group of CPMD
Brian Jerry
jb811713 at hotmail.com
Wed May 5 05:44:25 CEST 2004
hi, CPMD guys
In the input file, we only need to give SYMMETRY (1 of 14 Bravais lattice
types) and POINT GROUP (1 of 32 point groups, or AUTO). We know there are
230 space groups out there. I'm wondering how this program figures out the
space group of the crystall I'm dealing with.
Jerry
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