<DIV><FONT face="Times New Roman" size=4>Dear pwscf users,</FONT></DIV>
<DIV> <SPAN lang=EN-US style="FONT-SIZE: 14pt; FONT-FAMILY: 'Times New Roman'; mso-fareast-font-family: 宋体; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">I want to do a structural relaxation of<SPAN style="mso-spacerun: yes"> </SPAN>a charged system using pwscf. For example, In the process of oxygen reduction reaction, adsorption of hydration proton(H3O+) on Pt(111) surface, simultaneously, a extra electron is added, that is to say, O2 + H+ + e- . When I calculate this system with pwscf, could I add charge and add a electron simultanously? <SPAN lang=EN-US style="FONT-SIZE: 14pt; FONT-FAMILY: 'Times New Roman'; mso-fareast-font-family: 宋体; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">I will be glad to learn some extra tricks related to fast scf convergence in such scenarios.</SPAN></SPAN></DIV>
<DIV><SPAN lang=EN-US style="FONT-SIZE: 14pt; FONT-FAMILY: 'Times New Roman'; mso-fareast-font-family: 宋体; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"><SPAN lang=EN-US style="FONT-SIZE: 14pt; FONT-FAMILY: 'Times New Roman'; mso-fareast-font-family: 宋体; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"></SPAN></SPAN> </DIV>
<DIV><SPAN lang=EN-US style="FONT-SIZE: 14pt; FONT-FAMILY: 'Times New Roman'; mso-fareast-font-family: 宋体; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"><SPAN lang=EN-US style="FONT-SIZE: 14pt; FONT-FAMILY: 'Times New Roman'; mso-fareast-font-family: 宋体; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"> Thanks in advance</SPAN></SPAN></DIV>
<DIV><SPAN lang=EN-US style="FONT-SIZE: 14pt; FONT-FAMILY: 'Times New Roman'; mso-fareast-font-family: 宋体; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"><SPAN lang=EN-US style="FONT-SIZE: 14pt; FONT-FAMILY: 'Times New Roman'; mso-fareast-font-family: 宋体; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"> Lihui Ou</SPAN></SPAN></DIV>
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<DIV><FONT face=Arial size=3>Lihui Ou</FONT></DIV>
<DIV><FONT face=Arial size=3>PH.D Candidate in Electrochemistry </FONT></DIV>
<DIV><FONT face=Arial size=3>College of Chemistry and Molecular Science </FONT></DIV>
<DIV><FONT face=Arial size=3>Wuhan University,<EM>430072</EM>,Hubei Province,China </FONT></DIV>
<DIV><EM><FONT face=Arial size=3>E-mail:</FONT><A href="mailto:oulihui666@126.com" target=_blank><FONT face=Arial size=3>oulihui666@126.com</FONT></A></EM></DIV>
<DIV><FONT face=Arial size=3>======================================</FONT></DIV></DIV></DIV>