| /dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
| H A D | matdyn.f90 | 204 COMPLEX(DP), ALLOCATABLE :: f_of_q(:,:,:,:) variable
546 ALLOCATE ( z(3*nat,3*nat), w2(3*nat,nq), f_of_q(3,3,nat,nat), &
562 f_of_q(:,:,:,:) = (0.d0,0.d0)
573 nr1, nr2, nr3,f_of_q)
964 COMPLEX(DP) dyn(3,3,nat,nat), f_of_q(3,3,nat,nat) local
1066 & epsil,zeu,frc,nr1,nr2,nr3,has_zstar,rws,nrws,na_ifc,f_of_q,fd) argument
1084 COMPLEX(DP) dyn_blk(3,3,nat_blk,nat_blk), f_of_q(3,3,nat,nat) local
1106 & nr1,nr2,nr3,frc,at_blk,bg_blk,rws,nrws,f_of_q,fd)
2310 COMPLEX(DP) :: gam_blk(3,3,nat_blk,nat_blk),f_of_q(3,3,nat,nat) local
2324 f_of_q=(0.0_DP,0.0_DP)
[all …]
|
| H A D | rigid.f90 | 283 complex(DP), intent(inout) :: dyn(3,3,nat,nat),f_of_q(3,3,nat,nat) ! dynamical matrix local
328 f_of_q(i,j,na,nb)=fpi*e2*zag(i)*zbg(j)/qeq/omega/(nr1*nr2*nr3)
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/EPW/ZG_displacement/src/ |
| H A D | ZG.f90 | 223 COMPLEX(DP), ALLOCATABLE :: f_of_q(:,:,:,:) variable
526 ALLOCATE ( z(3 * nat, 3 * nat), w2(3*nat, nq), f_of_q(3, 3, nat, nat) )
546 f_of_q(:,:,:,:) = (0.d0, 0.d0)
551 epsil, zeu, frc, nr1,nr2,nr3, has_zstar, rws, nrws, f_of_q)
803 COMPLEX(DP) dyn(3, 3, nat, nat), f_of_q(3, 3, nat, nat) local
902 & epsil,zeu,frc,nr1,nr2,nr3,has_zstar,rws,nrws,f_of_q) argument
920 COMPLEX(DP) dyn_blk(3, 3, nat_blk, nat_blk), f_of_q(3, 3, nat, nat) local
943 & nr1, nr2, nr3,frc, at_blk, bg_blk, rws, nrws,f_of_q)
1850 COMPLEX(DP) :: gam_blk(3, 3, nat_blk, nat_blk),f_of_q(3, 3, nat, nat) local
1863 f_of_q=(0.0_DP,0.0_DP)
[all …]
|