[Pw_forum] specifying OH,ON etc in input files

WILLIAM J BROUWER wjb19 at psu.edu
Mon Nov 10 15:59:33 CET 2008


folks, does anyone know how to specify OH, ON etc in an input file? I have a
structure for cancrinite with various ON, OH with a
single x,y,z line in the structure file, how do I describe these explicitly in
ESPRESSO?

cheers,
bill brouwer
Penn State
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