[Pw_forum] Unit of displacements

Paolo Giannozzi giannozz at nest.sns.it
Fri Dec 9 16:18:04 CET 2005


On Friday 09 December 2005 15:48, Yansun Yao wrote:

>    Thank you! Could you please also tell me the unit used in atomic
> displacements (eigenvectors dividied by the square mass)?

masses are in atomic (rydberg) units: mass of one electron = 0.5,
one atomic mass unit = 911.444
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy



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