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--></style></head><body lang=JA link=blue vlink="#954F72"><div class=WordSection1><p class=MsoNormal><span lang=EN-US>Dear Samuel,</span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>> You have the full ICSD database? <o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>BURAI1.0 does not have any databases inside of itself.</span><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>However, it accesses crystal structures with Materials API <<a href="https://materialsproject.org/docs/api">https://materialsproject.org/docs/api</a>> through the Web.</span></p><p class=MsoNormal><span lang=EN-US>Maybe Materials API includes the full ICSD or more data.</span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>> I'm waiting to see how the calculations will run.</span></p><p class=MsoNormal><span lang=EN-US>Sorry, the current version of BURAI cannot execute calcurations, just create input file.</span></p><p class=MsoNormal><span lang=EN-US>Please wait next updates.</span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US>Regards,</span></p><p class=MsoNormal><span lang=EN-US>Satomichi</span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p> </o:p></span></p><div style='mso-element:para-border-div;border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0mm 0mm 0mm'><p class=MsoNormal style='border:none;padding:0mm'><b>差出人<span lang=EN-US>: </span></b><span lang=EN-US><a href="mailto:samuel.pon@gmail.com">Samuel Poncé</a><br></span><b>送信日時<span lang=EN-US>: </span></b><span lang=EN-US>2016</span>年<span lang=EN-US>5</span>月<span lang=EN-US>7</span>日<span lang=EN-US> 8:36<br></span><b>宛先<span lang=EN-US>: </span></b><span lang=EN-US><a href="mailto:q-e-developers@qe-forge.org">General discussion list for Quantum ESPRESSO developers</a><br></span><b>件名<span lang=EN-US>: </span></b><span lang=EN-US>Re: [Q-e-developers] Release of A GUI for Quantum ESPRESSO:"BURAI1.0"</span></p></div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p> </o:p></span></p><div><div><div><div><div><div><p class=MsoNormal align=left style='margin-bottom:12.0pt;text-align:left'><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>Thank you indeed. </span><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p></o:p></span></p></div><p class=MsoNormal style='margin-bottom:12.0pt'><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>I tried it on Windows. <o:p></o:p></span></p></div><p class=MsoNormal style='margin-bottom:12.0pt'><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>Works very well with the pymatgen backend. Very smooth and professional looking !<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>You have the full ICSD database? <o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p> </o:p></span></p></div><p class=MsoNormal style='margin-bottom:12.0pt'><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>I'm waiting to see how the calculations will run. <o:p></o:p></span></p></div><p class=MsoNormal style='margin-bottom:12.0pt'><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>Best, <o:p></o:p></span></p></div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>Samuel<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p> </o:p></span></p><div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>On 6 May 2016 at 20:47, Lorenzo Paulatto <<a href="mailto:lorenzo.paulatto@impmc.upmc.fr" target="_blank">lorenzo.paulatto@impmc.upmc.fr</a>> wrote:<o:p></o:p></span></p><blockquote style='border:none;border-left:solid #CCCCCC 1.0pt;padding:0mm 0mm 0mm 6.0pt;margin-left:4.8pt;margin-right:0mm'><p><span lang=EN-US>Thank you for sharing! <br>I could not test it yet, but it looks very useful. </span></p><p><span lang=EN-US>-- <br>Lorenzo Paulatto<br>Written on a virtual keyboard with real fingers</span></p><div><div><div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>On 6 May 2016 4:32 a.m., "Satomichi Nishihara" <<a href="mailto:nisihara225@gmail.com" target="_blank">nisihara225@gmail.com</a>> wrote:<o:p></o:p></span></p></div></div><blockquote style='border:none;border-left:solid #CCCCCC 1.0pt;padding:0mm 0mm 0mm 6.0pt;margin-left:4.8pt;margin-right:0mm'><div><div><div><div><p class=MsoNormal><span lang=EN-US>Dear Quantum ESPRESSO Users and Developers,</span><span lang=EN-US style='font-size:11.0pt;font-family:"Calibri",sans-serif'><o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> </span></p><p class=MsoNormal><span lang=EN-US>now I am developing a GUI system for Quantum ESPRESSO </span>“<span lang=EN-US>BURAI1.0</span>”<span lang=EN-US>, and the first version of it is released.</span></p><p class=MsoNormal><span lang=EN-US>BURAI1.0 is able to create input files of Quantum ESPRESSO just from chemical formulas.</span></p><p class=MsoNormal><span lang=EN-US>You can download its executable module for Windows or Mac OSX, from the website <a href="http://nisihara.wix.com/burai" target="_blank">http://nisihara.wix.com/burai</a> .</span></p><p class=MsoNormal><span lang=EN-US> </span></p><p class=MsoNormal><span lang=EN-US>If you have any questions or anything, please send to <a href="mailto:nisihara.burai@gmail.com" target="_blank">nisihara.burai@gmail.com</a> .</span></p><p class=MsoNormal><span lang=EN-US> </span></p><p class=MsoNormal><span lang=EN-US>Regards,</span></p><p class=MsoNormal><span lang=EN-US>Satomichi Nishiahra</span></p><p class=MsoNormal><span lang=EN-US> </span></p></div></div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><o:p> </o:p></span></p></div></div><p class=MsoNormal style='margin-bottom:12.0pt'><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'>_______________________________________________<br>Q-e-developers mailing list<br><a href="mailto:Q-e-developers@qe-forge.org" target="_blank">Q-e-developers@qe-forge.org</a><br><a href="http://qe-forge.org/mailman/listinfo/q-e-developers" target="_blank">http://qe-forge.org/mailman/listinfo/q-e-developers</a><o:p></o:p></span></p></blockquote></div><p class=MsoNormal style='margin-bottom:12.0pt'><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><br>_______________________________________________<br>Q-e-developers mailing list<br><a href="mailto:Q-e-developers@qe-forge.org">Q-e-developers@qe-forge.org</a><br><a href="http://qe-forge.org/mailman/listinfo/q-e-developers" target="_blank">http://qe-forge.org/mailman/listinfo/q-e-developers</a><o:p></o:p></span></p></blockquote></div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"ＭＳ Ｐゴシック",sans-serif'><br><br clear=all><br>-- <o:p></o:p></span></p><div><div><pre><span lang=EN-US style='color:#888888'>------------------------------------------------------------------------------------------------<o:p></o:p></span></pre><pre><span lang=EN-US style='color:#888888'> Dr. Samuel Poncé <o:p></o:p></span></pre><pre><span lang=EN-US style='color:#888888'> Department of Materials<o:p></o:p></span></pre><pre><span lang=EN-US style='color:#888888'> University of Oxford<o:p></o:p></span></pre><pre><span lang=EN-US style='color:#888888'> Parks Road<o:p></o:p></span></pre><pre><span lang=EN-US style='color:#888888'> Oxford OX1 3PH, UK<o:p></o:p></span></pre><pre><span lang=EN-US style='color:#888888'><o:p> </o:p></span></pre><pre><span lang=EN-US style='color:#888888'> Phone: +44 1865 612789<br> email: <a href="mailto:samuel.ponce@materials.ox.ac.uk" target="_blank">samuel.ponce@materials.ox.ac.uk</a> <o:p></o:p></span></pre><pre><span lang=EN-US style='color:#888888'> web: <a href="http://giustino.materials.ox.ac.uk/index.php/Site/SamuelPonc%e9" target="_blank">http://giustino.materials.ox.ac.uk/index.php/Site/SamuelPonc%e9</a><o:p></o:p></span></pre></div></div></div><pre><span lang=EN-US style='color:#888888'>------------------------------------------------------------------------------------------------<o:p></o:p></span></pre><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"MS Gothic"'><o:p> </o:p></span></p></div></body></html>