On Tue, 2011-10-04 at 12:01 +0200, jose manuel menendez montes wrote: > According to the manual: "Alternate choice (ibrav=-12) uses b as unique > axis: v1 = (a,0,0), v2 = (0,b,0), v3 = (a*sin(beta),0,c*cos(beta)) > where beta is the angle between axis a and c". That is, a and b are > correct but c is not. Instead of (a*sin(beta),0,c*cos(beta)), we are > getting (c*cos(beta),0,c*sin(beta)). Am I doing anything wrong?
you did nothing wrong. I think that the manual is wrong: v3 = (c*sin(beta),0,c*cos(beta)) Thank you for remarking this P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
