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<P class=MsoNormal style="MARGIN: 0in 0in 0pt">Dear all</P>
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<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><SPAN style="mso-spacerun: yes"> </SPAN>I want to relax a system containing hydrogenated nanotube. The BFGS method was used</P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt">But after some cycles it didnąt converge anymore. I changed some parameters such as Kpoint,con-thr , mixing method , mixing-beta ,ecutrho, etc but it didnąt work. What should I do?</P>
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<P class=MsoNormal style="MARGIN: 0in 0in 0pt">Thank you.</P>
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<P class=MsoNormal style="MARGIN: 0in 0in 0pt">M.aghtar </P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt">Msc student, physics department of Kashan university<SPAN style="mso-spacerun: yes"> </SPAN></P></DIV></div><br>
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