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* Installation [#vf44d4b7]
Here how to compile Quantum-ESPRESSO 6.3 on smith@Morikawa Group, Osaka University.

Let us first make directories for source codes, pseudopotentials, and calculations for Quantum-ESPRESSO in the home directory, for e.g.

 $ mkdir -p QE/src
 $ mkdir -p QE/pseudo
 $ mkdir -p QE/out

** Obtaining the code [#ka3fe950]
In the ${HOME}/QE/src directory, type
 $ git clone -b 'qe-6.3' --depth 1 https://gitlab.com/QEF/q-e.git qe-6.3
If "qe-6.3" is not specified, "q-e" is generated.
One can also do 
 $ wget https://gitlab.com/QEF/q-e/-/archive/qe-6.3/q-e-qe-6.3.tar.bz2
and untar 
 $ tar jxf q-e-qe-6.3.tar.bz2
 $ mv q-e-qe-6.3 qe-6.3
** Configure and build [#ed2667f7]
In qe-6.3, execute the following
 $ MPIF90=mpiifort DFLAGS='-D__OPENMP -D__FFTW3 -D__MPI -D__SCALAPACK' FFT_LIBS=-lfftw3 SCALAPACK_LIBS='-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64' ./configure --enable-openmp
The following option may be added to FFLAGS*
 -xSSE4.2 -axCOMMON-AVX512,CORE-AVX512,CORE-AVX2,CORE-AVX-I,AVX
Then type
 $ make pw
Other programs can be found by just typing
 $ make
I usually build PW as well as PP by typing
 $ make pw pp
If you like to perform phonon calculations do
 $ make ph
In the case of SternheimerGW type
 $ make SternheimerGW
To install the latest version of the yambo, I did the following (there may be smarter way though...)
Download the yambo tarball in the top directory of QE as
 $ wget https://github.com/yambo-code/yambo/archive/4.4.0.tar.gz
and expand it
 $ tar zxvf 4.4.0.tar.gz
then make a symbolic link as
 $ ln -s yambo-4.4.0 YAMBO
and type
 $ make yambo
** Obtaining pseudopotentials [#p32fb7f1]
One needs pseudopotentials for the Q-E calculations. Here is a list of useful sites where pseudopotentials can be found.
- [[SG15 ONCV>http://www.quantum-simulation.org/potentials/sg15_oncv/]] and [[Pseudo Dojo>http://www.pseudo-dojo.org/]] (normconserving)
- [[GBRV pseudopotentials>https://www.physics.rutgers.edu/gbrv/]] (ultrasoft)
- [[Quantum-ESPRESSO pseudopotential page>https://www.quantum-espresso.org/pseudopotentials]]~
([[pslibrary>https://dalcorso.github.io/pslibrary/]] is recommended and indeed accurate, but large cutoff energy is necessary in many cases)
- [[OPIUM>http://opium.sourceforge.net/]] (normconserving)
- [[NNIN/C Pseudopotential Virtual Vault>http://nninc.cnf.cornell.edu/]]

Download the pseudopotentials and put in the $(HOME)/QE/pseudo directory.