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k_tfvw.f90
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1
2! Copyright (C) 2021 J. K. Dewhurst, S. Sharma and E. K. U. Gross.
3! This file is distributed under the terms of the GNU General Public License.
4! See the file COPYING for license details.
5
6!BOP
7! !ROUTINE: k_tfvw
8! !INTERFACE:
9subroutine k_tfvw(n,rho,grho2,dtdr,dtdgr2)
10! !INPUT/OUTPUT PARAMETERS:
11! n : number of density points (in,integer)
12! rho : spin-unpolarised charge density (in,real(n))
13! grho2 : |grad rho|^2 (in,real(n))
14! dtdr : dtau/drho (out,real(n))
15! dtdgr2 : dtau/d|grad rho|^2 (out,real(n))
16! !DESCRIPTION:
17! Calculates the derivatives $\partial\tau/\partial\rho$ and
18! $\partial\tau/\partial|\nabla\rho|^2$ of the gradient expansion of the
19! kinetic energy density $\tau$ for a set of points. See {\tt k\_tfvw1}.
20!
21! !REVISION HISTORY:
22! Created December 2021 (JKD)
23!EOP
24!BOC
25implicit none
26! arguments
27integer, intent(in) :: n
28real(8), intent(in) :: rho(n),grho2(n)
29real(8), intent(out) :: dtdr(n),dtdgr2(n)
30! local variables
31integer i
32do i=1,n
33 call k_tfvw1(rho(i),grho2(i),dtdr(i),dtdgr2(i))
34end do
35end subroutine
36!EOC
37
elemental subroutine k_tfvw1(rho, grho2, dtdr, dtdgr2)
Definition k_tfvw1.f90:10
subroutine k_tfvw(n, rho, grho2, dtdr, dtdgr2)
Definition k_tfvw.f90:10