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Thank you for your answer. No they are not the same, you fint here in attachement that when i use ibrav=0 and I define the cell parameter for sur, I find this fillings with this same range of x.</div>
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Thank you</div>
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Sally ISSA</div>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Lorenzo Paulatto <paulatz@gmail.com><br>
<b>Sent:</b> 03 March 2021 15:14<br>
<b>To:</b> Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org><br>
<b>Subject:</b> Re: [QE-users] ibrav (QE)</font>
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<div>They look pretty much the same to me, except being plot with a different range along x</div>
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<div>--<br>
<span style="font-size:0.9em; color:gray">Lorenzo Paulatto - Paris<span></span></span></div>
<div class="x_gmail_quote_attribution">On Mar 3 2021, at 1:55 pm, sally issa <sally.issa1@outlook.com> wrote:</div>
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<pre style="background-color:rgba(0,0,0,0.05); padding:0.2em 1em"><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif"><font style="font-family:monospace"><font style="font-family:Liberation Sans"> I try to calculate the density of state of Nb which is stable in centered cubic. To do this I use ibrav = 0 and identify the cell_parameter. but with ibrav = 0 I get a number of electrons from the shell d = 7 electrons (instead of 10).</font></font></font></font></pre>
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<pre style="background-color:rgba(0,0,0,0.05); padding:0.2em 1em"><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif"><font style="font-family:monospace"><font style="font-family:Liberation Sans">I tried to do this with ibrav = 3 which is good for the centered cuubic (well defined in pw.x quantum espresso) and I remove the cell_parameter of course. I get a good number of electrons at the level of the layer d.</font></font></font></font></pre>
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<pre style="background-color:rgba(0,0,0,0.05); padding:0.2em 1em"></pre>
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<pre style="background-color:rgba(0,0,0,0.05); padding:0.2em 1em"><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif"><font style="font-family:monospace"><font style="font-family:Liberation Sans">so I would like to know please what is the difference at the level of ibrav = 0 and ibrav = 3 which affects the result of the number of electron. SEEN that if you put the input of ibrav = 0 or that of ibrav = 3 on xcrysden it gives you a well-formed centered cubic structure.</font></font></font></font></pre>
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<pre style="background-color:rgba(0,0,0,0.05); padding:0.2em 1em"><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif"><font style="font-family:monospace"><font style="font-family:Liberation Sans">Thank you</font></font></font></font></pre>
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<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">Sally ISSA</font></font></div>
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