BURAI-Release-Package (Ver.1.3.2)

This is BURAI-Release-Package, which contains

BURAI 1.3.2 https://github.com/BURAI-team/burai
BURAI-tools https://github.com/BURAI-team/burai-tools .

[ FEATURE OF BURAI 1.3.2 ]

Some bugs are fixed.
License of BURAI is changed form GNU-GPLv3 to Apache2.0 .

[ FEATURE OF BURAI-tools ]

Following tools are included:
1. Executable files of QE
2. Executable files of MPI
3. Example files
4. Pseudopotential files
License of BURAI-tools is GNU-GPLv3 .

[ LICENSE ]
BURAI-Release-Package is licensed under GNU-GPLv3 http://www.gnu.org/copyleft/gpl.txt ,
although BURAI 1.3.2 is licensed under Apache2.0 http://www.apache.org/licenses/LICENSE-2.0 .

Links:

Web page of BURAI http://nisihara.wixsite.com/burai
Quantum ESPRESSO http://www.quantum-espresso.org

Assets

nisihara1

ver.1.3.1

f020d2a

BURAI1.3.1

release of BURAI1.3.1, some bugs are fixed

Fixed Bugs:

Decimal comma became dot, for some languages.
When occupation = "fixed", Fermi energy became HOMO.
"Walking on B.Z." of band calculation is fixed.
Behaviors of "hubbard_u" and "starting_magnetization" are fixed.
Setting verbosity is inhibited.

NOTE:
Bugs of 2-5 are reported by Dr. Konstantin Glukhov (Uzhgorod National University, Ukraine.)

Links:

Web page of BURAI http://nisihara.wixsite.com/burai
Quantum ESPRESSO http://www.quantum-espresso.org

Assets

nisihara1

ver.1.3-linux

fc7abdc

BURAI1.3 for Ubuntu

release of BURAI1.3, for Ubuntu Linux

How to install

download and unzip BURAI1.3_Linux.tgz .
install libraries of Java, as
sudo apt-get install openjdk-8-jdk
sudo apt-get install openjfx
execute BURAI1.3/makeLauncher.sh, to yield the launcher BURAI.desktop .

[ NOTE ]
If you want to use pre-compiled executables of QE,
GFortran and OpenMPI have to be installed through apt-get.

Links:

Web page of BURAI http://nisihara.wixsite.com/burai
Quantum ESPRESSO http://www.quantum-espresso.org

Assets

nisihara1

ver.1.3

4646346

BURAI1.3

release of BURAI1.3, which is a GUI system of Quantum ESPRESSO

Features:

You can open the file of VASP: POSCAR and CONTCAR .
You can open the file of XCrySDen: *.xsf .
You can edit design of atomic viewer, e.g. Ball&Stick model or background color.
Some bugs are fixed.

[ NOTE ]
If you want to use MPI for Mac OS-X, the library of OpenMPI has to be installed through MacPorts, as
sudo port install openmpi-gcc6
sudo port select --set mpi openmpi-gcc6-fortran

Links:

Web page of BURAI http://nisihara.wixsite.com/burai
Quantum ESPRESSO http://www.quantum-espresso.org

Assets

nisihara1

ver.1.2

035363f

BURAI1.2

release of BURAI1.2, which is a GUI system of Quantum ESPRESSO

Features:

You can see and create movies of geometry optimization or molecular dynamics.
You can build super cells and slab models.
Performance of atomic viewer is accelerated and parallelized.
Some bugs are fixed.
You can Read The Docs. (http://burai.readthedocs.io/en/latest/)
Executables of Quantum ESPRESSO are included (see below).

Executables of Quantum ESPRESSO:

Customized version of QEv6.1 is used (https://github.com/nisihara1/q-e/releases/tag/v6.1-nisihara).
For Windows; GCC7, Microsoft-MPI, OpenBLAS and FFTW3 are used.
For Mac OSX; GCC6, OpenMPI, OpenBLAS and FFTW are used.

[ NOTE ]
If you want to use MPI for Mac OS-X, the library of OpenMPI has to be installed through MacPorts, as
sudo port install openmpi-gcc6
sudo port select --set mpi openmpi-gcc6-fortran

Links: