The Elk Code
Loading...
Searching...
No Matches
k_tfvw.f90
Go to the documentation of this file.
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:
9
subroutine
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
25
implicit none
26
! arguments
27
integer
,
intent(in)
:: n
28
real
(8),
intent(in)
:: rho(n),grho2(n)
29
real
(8),
intent(out)
:: dtdr(n),dtdgr2(n)
30
! local variables
31
integer
i
32
do
i=1,n
33
call
k_tfvw1
(rho(i),grho2(i),dtdr(i),dtdgr2(i))
34
end do
35
end subroutine
36
!EOC
37
k_tfvw1
elemental subroutine k_tfvw1(rho, grho2, dtdr, dtdgr2)
Definition
k_tfvw1.f90:10
k_tfvw
subroutine k_tfvw(n, rho, grho2, dtdr, dtdgr2)
Definition
k_tfvw.f90:10
k_tfvw.f90
Generated by
1.9.8