On Tuesday 30 May 2006 11:55, sun jason wrote: > how to calculate a, b, c, and alpha, beta, gamma, if I want to > describe the structure ?
a, b, c = modules of first, second, third vector respectively (in A, not a.u.) cos(ab) = cosine of the angle between first and second vector and so on ibrav=14 (triclinic) always works -- 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
