[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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