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energyulr.f90
Go to the documentation of this file.
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! Copyright (C) 2025 Wenhan Chen, 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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subroutine
energyulr
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use
modmain
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use
modulr
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implicit none
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!-------------------------------------!
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! sum of occupied eigenvalues !
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!-------------------------------------!
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evalsum
=sum(
occulr
(1:
nstulr
,1:
nkpt0
)*
evalu
(1:
nstulr
,1:
nkpt0
))
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! normalise to the unit cell
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evalsum
=
evalsum
/(
nkpa
*
nkpt0
)
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end subroutine
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energyulr
subroutine energyulr
Definition
energyulr.f90:7
modmain
Definition
modmain.f90:6
modmain::evalsum
real(8) evalsum
Definition
modmain.f90:948
modulr
Definition
modulr.f90:6
modulr::nstulr
integer nstulr
Definition
modulr.f90:94
modulr::nkpa
integer nkpa
Definition
modulr.f90:24
modulr::evalu
real(8), dimension(:,:), allocatable evalu
Definition
modulr.f90:96
modulr::occulr
real(8), dimension(:,:), allocatable occulr
Definition
modulr.f90:98
modulr::nkpt0
integer nkpt0
Definition
modulr.f90:18
energyulr.f90
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