[Q-e-developers] Release of A GUI for Quantum ESPRESSO:"BURAI1.0"

[Satomichi Nishihara]

Dear Samuel,

> You have the full ICSD database? 
BURAI1.0 does not have any databases inside of itself.
However, it accesses crystal structures with Materials API <https://materialsproject.org/docs/api> through the Web.
Maybe Materials API includes the full ICSD or more data.

> I'm waiting to see how the calculations will run.
Sorry, the current version of BURAI cannot execute calcurations, just create input file.
Please wait next updates.

Regards,
Satomichi


差出人: Samuel Poncé
送信日時: 2016年5月7日 8:36
宛先: General discussion list for Quantum ESPRESSO developers
件名: Re: [Q-e-developers] Release of A GUI for Quantum ESPRESSO:"BURAI1.0"

Thank you indeed. 
I tried it on Windows. 
Works very well with the pymatgen backend. Very smooth and professional looking !
You have the full ICSD database? 

I'm waiting to see how the calculations will run. 
Best, 
Samuel

On 6 May 2016 at 20:47, Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr> wrote:
Thank you for sharing! 
I could not test it yet, but it looks very useful. 
-- 
Lorenzo Paulatto
Written on a virtual keyboard with real fingers
On 6 May 2016 4:32 a.m., "Satomichi Nishihara" <nisihara225 at gmail.com> wrote:
Dear Quantum ESPRESSO Users and Developers,
 
now I am developing a GUI system for Quantum ESPRESSO “BURAI1.0”, and the first version of it is released.
BURAI1.0 is able to create input files of Quantum ESPRESSO just from chemical formulas.
You can download its executable module for Windows or Mac OSX, from the website http://nisihara.wix.com/burai .
 
If you have any questions or anything, please send to nisihara.burai at gmail.com .
 
Regards,
Satomichi Nishiahra
 

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-- 
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    Dr. Samuel Poncé  
    Department of Materials
    University of Oxford
    Parks Road
    Oxford OX1 3PH, UK

    Phone: +44 1865 612789
    email: samuel.ponce at materials.ox.ac.uk 
    web: http://giustino.materials.ox.ac.uk/index.php/Site/SamuelPonc%e9
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