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<p>In order to run a 2632-atom system you need, in addition to a serious parallel</p>
<p>machine, some serious knowledge of how parallelism works, in general and in</p>
<p>plane-wave codes, and of time and memory requirements of plane-wave codes<br>
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<p>Paolo<br>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" color="#000000" face="Calibri, sans-serif"><b>From:</b> pw_forum-bounces@pwscf.org <pw_forum-bounces@pwscf.org> on behalf of Mohan maruthi sena <maruthi.sena@gmail.com><br>
<b>Sent:</b> Saturday, April 11, 2015 14:59<br>
<b>To:</b> PWSCF Forum<br>
<b>Subject:</b> [Pw_forum] quantum espresso - pdb as input</font>
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<div>Hi all,<br>
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I want to perform adsorption studies on a system using pdb as input. I do not want to consider cif structure as i made some changes to structure. The total atoms in pdb structure are 2632. Please find the attached input file, I am a novice user
of quantum espresso. I just want to confirm whether input that i have considered is correct or wrong?<br>
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<div>Thank you in advance for a reply,<br>
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<div>Mohan<br>
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