diff --git a/docs/installing.rst b/docs/installing.rst
index e50dc5c0..621f148c 100644
--- a/docs/installing.rst
+++ b/docs/installing.rst
@@ -43,8 +43,10 @@ a working MPI installation including a Fortran90 compiler (often
can be obtained from `the netlib repository `_ if
you need to compile it)
-Additionally, Conquest can use LibXC if it is available (v4.x or
-later).
+Additionally, Conquest can use `ELPA `_ as an
+alternative to ScaLAPACK (with GPU implementations also available).
+It will also use `LibXC `_ if it is
+available (v4.x or later) :cite:`i-Lehtola:2018le`.
The library locations are set in the ``system.make`` file in the ``src/system``
directory, along with other parameters needed for compilation. The default file
@@ -223,5 +225,13 @@ Compile CONQUEST
dos2unix ./makedeps # For Windows Subsystem for Linux (WSL), there may be some incompatibilities thus file conversion is recommended.
make # Or make -j`nproc` for parallel compilation using all available cores
+
Go to :ref:`top `
+.. bibliography:: references.bib
+ :cited:
+ :labelprefix: I
+ :keyprefix: i-
+ :style: unsrt
+
+Go to :ref:`top `
diff --git a/docs/references.bib b/docs/references.bib
index 8144fe1c..606a2df9 100644
--- a/docs/references.bib
+++ b/docs/references.bib
@@ -1,12 +1,22 @@
%% This BibTeX bibliography file was created using BibDesk.
-%% http://bibdesk.sourceforge.net/
+%% https://bibdesk.sourceforge.io/
-
-%% Created for David Bowler at 2019-12-20 09:46:12 +0000
+%% Created for David Bowler at 2026-02-11 11:22:57 +0000
%% Saved with string encoding Unicode (UTF-8)
+
+
+@article{Lehtola:2018le,
+ author = {Lehtola, Susi and Steigemann, Conrad and Oliveira, Micael J. T. and Marques, Miguel A. L.},
+ doi = {10.1016/j.softx.2017.11.002},
+ journal = {SoftwareX},
+ pages = {1--5},
+ title = {Recent developments in libxc —A comprehensive library of functionals for density functional theory},
+ volume = {7},
+ year = {2018}}
+
@article{Torralba:2009nr,
author = {Torralba, Antonio S and Bowler, David R and Miyazaki, Tsuyoshi and Gillan, Michael J},
doi = {10.1021/ct8005425},
diff --git a/src/XC_LibXC_v5_module.f90 b/src/XC_LibXC_v5_module.f90
index 857c6ea3..4a1ff531 100644
--- a/src/XC_LibXC_v5_module.f90
+++ b/src/XC_LibXC_v5_module.f90
@@ -126,9 +126,9 @@ subroutine init_xc
call xc_f03_version(vmajor, vminor, vmicro)
if(inode==ionode.AND.iprint_ops>0) then
if(vmajor>2) then
- write(io_lun,'(4x,"LibXC version: ",I2,".",I2,".",I2)') vmajor, vminor, vmicro
+ write(io_lun,'(4x,"Using LibXC version: ",I2,".",I2,".",I2)') vmajor, vminor, vmicro
else
- write(io_lun,'(4x,"LibXC version: ",I2,".",I2)') vmajor, vminor
+ write(io_lun,'(4x,"Using LibXC version: ",I2,".",I2)') vmajor, vminor
end if
end if
! Identify the functional
@@ -313,15 +313,18 @@ subroutine write_xc_refs
implicit none
integer :: i, j
- character(len=120) :: ref
+ character(len=200) :: ref
+ call xc_f03_reference(ref)
+ write(io_lun,fmt='(/4x,"LibXC reference: ",a)') ref
write(io_lun,fmt='(4x,"XC references from LibXC:")')
do j=1,n_xc_terms
i = 0
ref = xc_f03_func_reference_get_ref(xc_f03_func_info_get_references(xc_info(j),i))
+ write(io_lun,fmt='(6x,a)') trim(ref)
do while(i >= 0)
- write(io_lun, '(6x,a)') trim(ref)
ref = xc_f03_func_reference_get_ref(xc_f03_func_info_get_references(xc_info(j),i))
+ write(io_lun, '(6x,a)') trim(ref)
end do
end do
return