Commit 37b0e5b0 authored by giannozz's avatar giannozz

Some constants were not explicitly defined as double precision (including one

that having 17 digits would have been truncated to 8)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13086 c92efa57-630b-4861-b058-cf58834340f0
parent 2e7f6798
......@@ -218,13 +218,13 @@ subroutine pzKZK (rs, ec, vc, vol)
real(DP) :: f3, f2, f1, f0, pi
real(DP) :: D1, D2, D3, P1, P2, ry2h
!
data a / 0.0311d0, 0.031091d0 /, b / -0.048d0, -0.046644d0 /, &
c / 0.0020d0, 0.00419d0 /, d / -0.0116d0, -0.00983d0 /
data gc / -0.1423d0, -0.103756d0 /, b1 / 1.0529d0, 0.56371d0 /, &
b2 / 0.3334d0, 0.27358d0 /
data a1 / -2.2037 /, g1 / 0.1182 /, g2 / 1.1656 /, g3 / -5.2884 /, &
g4 / -1.1233 /
data ry2h / 0.5d0 /
data a / 0.0311_dp, 0.031091_dp /, b / -0.048_dp, -0.046644_dp /, &
c / 0.0020_dp, 0.00419_dp /, d / -0.0116_dp, -0.00983_dp /
data gc / -0.1423_dp, -0.103756_dp /, b1 / 1.0529_dp, 0.56371_dp /, &
b2 / 0.3334_dp, 0.27358_dp /
data a1 / -2.2037_dp/, g1 / 0.1182_dp/, g2 / 1.1656_dp/, g3 / -5.2884_dp/, &
g4 / -1.1233_dp /
data ry2h / 0.5_dp /
!
iflag = 1
pi = 4.d0 * atan(1.d0)
......@@ -1073,9 +1073,9 @@ subroutine pbex (rho, grho, iflag, sx, v1x, v2x)
! parameters of the functional
real(DP) :: k (6), mu(6), ev(6)
! pbe rpbe pbesol pbeq2d optB88 optB86b
data k / 0.804_DP, 1.2450D0, 0.804_DP , 0.804_DP , 0.0 , 0.0 /, &
mu/ 0.21951_DP, 0.21951_DP, 0.12345679012345679012_DP, &
0.12345679012345679, 0.22 , 0.1234/, &
data k / 0.804_DP, 1.2450_DP, 0.804_DP , 0.804_DP, 0.0_dp, 0.0_dp/, &
mu/ 0.21951_DP, 0.21951_DP, 0.12345679012345679_DP, &
0.12345679012345679_DP, 0.22_dp, 0.1234_dp/, &
ev / 1.647127_DP, 0.980118_DP, 0.017399_DP, 1.523671_DP, 0.367229_DP, &
0.011282_DP / ! a and b parameters of Engel and Vosko
agrho = sqrt (grho)
......
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