Lines Matching refs:alpha
1 subroutine dft_polfromsos(alpha,n,dpx,dpy,dpz,deltae,ipol) argument
4 double precision alpha(3,3) ! polarizability [out]
19 call dfill(9,0d0,alpha,1)
21 alpha(1,1)=alpha(1,1)+dpx(i_f)*dpx(i_f)/deltae(i_f)
22 alpha(2,1)=alpha(2,1)+dpy(i_f)*dpx(i_f)/deltae(i_f)
23 alpha(3,1)=alpha(3,1)+dpz(i_f)*dpx(i_f)/deltae(i_f)
24 alpha(1,2)=alpha(1,2)+dpx(i_f)*dpy(i_f)/deltae(i_f)
25 alpha(2,2)=alpha(2,2)+dpy(i_f)*dpy(i_f)/deltae(i_f)
26 alpha(3,2)=alpha(3,2)+dpz(i_f)*dpy(i_f)/deltae(i_f)
27 alpha(1,3)=alpha(1,3)+dpx(i_f)*dpz(i_f)/deltae(i_f)
28 alpha(2,3)=alpha(2,3)+dpy(i_f)*dpz(i_f)/deltae(i_f)
29 alpha(3,3)=alpha(3,3)+dpz(i_f)*dpz(i_f)/deltae(i_f)
31 call dscal(9,4d0/ipol,alpha,1)
32 call util_poltensor(alpha,alpha_ev,alpha_iso,alpha_ani,' SOS')