The Elk Code
rmtavrg.f90
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! Copyright (C) 2023 J. K. Dewhurst and S. Sharma.
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! This file is distributed under the terms of the GNU General Public License.
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! See the file COPYING for license details.
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!BOP
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! !ROUTINE: rmtavrg
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! !INTERFACE:
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subroutine
rmtavrg
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! !USES:
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use
modmain
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! !DESCRIPTION:
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! Performs a simple averaging procedure on all the muffin-tin radii. First
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! the average muffin-tin radius $\overline{R_{\rm MT}}$ is found and then
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! every radius is averaged with this and itself:
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! $R_{\rm MT}^{\alpha}\rightarrow(R_{\rm MT}^{\alpha}
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! +\overline{R_{\rm MT}})/2$. This is repeated {\tt mrmtav} times.
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!
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! !REVISION HISTORY:
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! Created May 2023 (JKD)
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!EOP
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!BOC
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implicit none
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! local variables
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integer
i
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real(8)
ra
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if
(
nspecies
<= 1)
return
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do
i=1,
mrmtav
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! average muffin-tin radius
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ra=sum(
rmt
(1:
nspecies
))/
nspecies
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! replace each muffin-tin radius with half itself plus the average
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rmt
(1:
nspecies
)=0.5d0*(
rmt
(1:
nspecies
)+ra)
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end do
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end subroutine
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!EOC
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rmtavrg
subroutine rmtavrg
Definition:
rmtavrg.f90:10
modmain
Definition:
modmain.f90:6
modmain::rmt
real(8), dimension(maxspecies) rmt
Definition:
modmain.f90:162
modmain::nspecies
integer nspecies
Definition:
modmain.f90:34
modmain::mrmtav
integer mrmtav
Definition:
modmain.f90:156
rmtavrg.f90
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