Hi Shruba,<div><br></div><div>I think what you are suggesting is very close to my problem, I started using espresso just a week back so I am not very familiar with it. I am sending you the input file, Its a porous graphene ribbon, periodic in y and z direction with some atoms deleted. I think the error may be somewhere in defining the system, could you help ?<br>
<br><div class="gmail_quote">On Tue, Apr 26, 2011 at 7:15 PM, Shruba Gangopadhyay <span dir="ltr"><<a href="mailto:shruba@gmail.com">shruba@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div>Dear Swapnil,</div>
<div> Its always better to send the input file here. Because without your input its very difficult for anybody to understand whats going wrong. From my experience I can suggest you one thing to check if your supercell length along anyone of the axis having much high value (like length of x axis/length along z ~20 or more). I suspect it because you have a nanoribbon. In that case you might reduce the ratio and see if you still getting the error.</div>
<div> Cheers</div>
<div> Shruba</div><div><div></div><div class="h5">
<div> </div>
<div>On Tue, Apr 26, 2011 at 5:28 PM, swapnil chandratre <span dir="ltr"><<a href="mailto:swapnil.chandratre@gmail.com" target="_blank">swapnil.chandratre@gmail.com</a>></span> wrote:<br></div>
<div class="gmail_quote">
<blockquote style="border-left:#ccc 1px solid;margin:0px 0px 0px 0.8ex;padding-left:1ex" class="gmail_quote">I couldnt find anything pertaining to error 426.
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<div class="gmail_quote">On Mon, Apr 25, 2011 at 2:33 PM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:giannozz@democritos.it" target="_blank">giannozz@democritos.it</a>></span> wrote:<br>
<blockquote style="border-left:#ccc 1px solid;margin:0px 0px 0px 0.8ex;padding-left:1ex" class="gmail_quote">
<div><br>On Apr 25, 2011, at 2:14 , swapnil chandratre wrote:<br><br>> I get the following error for Graphene Ribbon with porosity, can<br>> anyone help.<br>><br>> from cdiaghg : error # 426<br>> problems computing cholesky<br>
<br></div>what about searching the mailing list for "cholesky" ?<br><br><a href="http://www.quantum-espresso.org/user_guide/" target="_blank">http://www.quantum-espresso.org/user_guide/</a><br>node52.html#SECTION000121070000000000000<br>
><br><br><br>P.<br>---<br>Paolo Giannozzi, Dept of Chemistry&Physics&Environment,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone <a href="tel:%2B39-0432-558216" value="+390432558216" target="_blank">+39-0432-558216</a>, fax <a href="tel:%2B39-0432-558222" value="+390432558222" target="_blank">+39-0432-558222</a><br>
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<div>-- <br>Regards,<br>Swapnil Chandratre<br>Graduate Student<br>Dept. of Mechanical Engineering,<br>University of Houston,<br>Houston, TX<br>(M)-<a href="tel:713-294-9546" value="+17132949546" target="_blank">713-294-9546</a><br>
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<br></blockquote></div><br><br clear="all"><br>-- <br></div></div><font color="#888888">Shruba Gangopadhyay<br>PhD candidate<br>Department of Chemistry, NanoScience Technology Center<br>12424 Research Parkway, Suite 400<br>
University of Central Florida<br>
Orlando, FL-32826<br>'friendship doubles joys and reduces sorrows by half' (Francis Bacon).<br>
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<br></blockquote></div><br><br clear="all"><br>-- <br>Regards,<br>Swapnil Chandratre<br>Graduate Student<br>Dept. of Mechanical Engineering,<br>University of Houston,<br>Houston, TX<br>(M)-713-294-9546<br>
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