Dear Quantum Espresso Users<br><br>I have used Ni.pbe-nd-rrkjus.UPF pseudo-potential for nickel in my project. In the info part of this pseudopotential has been written :<br><br>Info: Ni PBE 3d9 4s1 RRKJ3 US<br><br>But I know that the well established electron configuration for nickel is "3d8 4s2" and now I am too worry that it may cause an error in my work. May it ?<br>
I appreciate your help to understand the point in advance. Many Thanks <br><br clear="all"><br><div> <div> <span style="font-family: comic sans ms,sans-serif;">Best Wishes</span><br>
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<p style="margin: 0in 0in 0pt; line-height: normal;"><font size="2"><i><span style="color: rgb(0, 0, 102); font-family: 'Comic Sans MS';">Masoud Nahali <span> </span></span></i><span style="font-family: 'Times New Roman','serif';"></span></font></p>
<p style="margin: 0in 0in 0pt; line-height: normal;"><i><font color="#000000"><font size="2"><span style="line-height: 115%; font-family: 'Times New Roman','serif';">PhD Student of Physical Chemistry<br>Sharif University of Technology</span></font></font></i></p>
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