<div>thank you very much, I see according to your explain....</div>
<div><br><br> </div>
<div class="gmail_quote">2012/10/3 Eduardo Ariel Menendez Proupin <span dir="ltr"><<a href="mailto:eariel99@gmail.com" target="_blank">eariel99@gmail.com</a>></span><br>
<blockquote style="BORDER-LEFT:#ccc 1px solid;MARGIN:0px 0px 0px 0.8ex;PADDING-LEFT:1ex" class="gmail_quote">Hi, <br>You may use ibrav=0, 3, or 14. <br>For 3 or 14, you need to find the atomic coordinates referred to the primitive vectors.<br>
For ibrav=0, you can express the coordinates and the vectors in cartesian components.<br><br>Once you understand well the structure, this site is useful to do the transformations of the cells. <br><a href="http://www.cryst.ehu.es/" target="_blank">http://www.cryst.ehu.es/</a><br>
<br>---------- Mensaje reenviado ----------<br>From: Wei Zhou <<a href="mailto:zdw2000@gmail.com" target="_blank">zdw2000@gmail.com</a>><br>To: PWSCF Forum <<a href="mailto:pw_forum@pwscf.org" target="_blank">pw_forum@pwscf.org</a>><br>
Cc: <br>Date: Wed, 3 Oct 2012 20:32:11 +0800<br>Subject: Re: [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure
<div class="im"><br>
<div>sorry, the Bravais is just cubic, the space group is I43d, the lattice parameters are as following</div>
<div> 4.599100000000000 0.000000000000000 0.000000000000000 <br> 0.000000000000000 4.599100000000000 0.000000000000000 <br> -0.000000000000000 -0.000000000000000 4.599100000000000 </div>
atom positions<br> 0.7190300000000002 0.2809699999999998 0.7809699999999998 <br> 1.2190300000000003 0.7809699999999997 1.2809699999999999 <br>-0.2190300000000002 -0.2809699999999998 1.2809699999999999 <br>
0.2809699999999999 0.2190300000000002 1.7809699999999999 <br>-0.7190300000000002 0.7809699999999998 -0.2809699999999999 <br>-0.2190300000000002 1.2809699999999999 0.2190300000000002 <br> 1.2190300000000003 0.2190300000000002 -0.7809699999999998 <br>
1.7190300000000003 0.7190300000000003 -0.2809699999999999 <br> 0.5309699999999998 0.9690300000000002 1.0309699999999999 <br> 1.0309699999999997 1.4690300000000001 1.5309699999999999 <br>-0.0309699999999998 0.0309699999999998 1.5309699999999997 <br>
0.4690300000000002 0.5309699999999999 2.0309699999999999 <br> 1.0309699999999997 -0.4690300000000002 -0.0309699999999998 <br> 1.5309699999999997 0.0309699999999999 0.4690300000000002 <br> 0.4690300000000002 1.4690300000000003 -0.5309699999999998 <br>
0.9690300000000004 1.9690300000000001 -0.0309699999999998 <br clear="all"><br></div>-- <br>
<div><br></div>
<div><br></div>Eduardo Menendez Proupin
<div>Departamento de Química Fisica Aplicada<br>Facultad de Ciencias<br>Universidad Autónoma de Madrid<br>28049 Madrid, Spain<br></div>
<div>Phone: +34 91 497 6706</div>
<div><br></div>
<div>On leave from: Departamento de Fisica, Facultad de Ciencias, Universidad de Chile URL: <a href="http://fisica.ciencias.uchile.cl/~emenendez" target="_blank">http://fisica.ciencias.uchile.cl/~emenendez</a>
<div><br></div>
<div><span style="LINE-HEIGHT:19px;FONT-FAMILY:sans-serif;FONT-SIZE:13px">"<i>Padece, espera y trabaja para gentes que nunca conocerá y que a su vez padecerán, esperarán y trabajarán para otros, que tampoco serán felices, pues el hombre ansía siempre una felicidad situada más allá de la porción que le es otorgada. Pero la grandeza del hombre está precisamente en querer mejorar lo que es. En imponerse Tareas. En el Reino de los Cielos no hay grandeza que conquistar, puesto que allá todo es jerarquía establecida, incógnita despejada, existir sin término, imposibilidad de sacrificio, reposo y deleite. Por ello, agobiado de penas y de Tareas, hermoso dentro de su miseria, capaz de amar en medio de las plagas, el hombre puede hallar su grandeza, su máxima medida en el Reino de este Mundo</i>".</span></div>
<div><span style="LINE-HEIGHT:19px;FONT-FAMILY:sans-serif;FONT-SIZE:13px">Alejo Carpentier, El reino de este mundo, (1949).<br><br></span>"...man never knows for who he suffers and waits. He suffers and waits and works for peoples he will never meet, and who at the same time will suffer and wait and work for others who will also not be happy, as man always desires a happiness that is beyond the lot that he is given. But the greatness of man is precisely in wanting to improve what he is. In assigning himself Tasks. In the Kingdom of Heaven there is no greatness to conquer, for everything there is an established hierarchy, the unknown is unobscured, existence is without end, sacrifice, rest, and delight are impossibilities. Therefore, overwhelmed with hardships and Tasks, beautiful within his misery, capable of loving in the middle of calamity, man can only find his greatness, his full self-realization, in the Kingdom of this World." - Alejo Carpentier<br>
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</blockquote></div><br><br clear="all"><br>-- <br>ZhouDawei<br>JiLin Universiyt ,ChangChun ,China<br><a href="mailto:zdw2000@gmail.com">zdw2000@gmail.com</a><br>