Sorry, I just mis-typed. example31 should be the script for finite-electric field scheme implemented in PWSCF.<br>regards,<br><br><div class="gmail_quote">On Wed, Feb 11, 2009 at 7:49 PM, lan haiping <span dir="ltr"><<a href="mailto:lanhaiping@gmail.com">lanhaiping@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Hi, Zhenyu,<br>I think you may try to run the $espresso/example/example30, and take a look at README.<br>
<br>Regards,<br>Hai-Ping<div><div></div><div class="Wj3C7c"><br><br><div class="gmail_quote">On Wed, Feb 11, 2009 at 9:51 AM, Andrew Lee <span dir="ltr"><<a href="mailto:andrewlee.cp@gmail.com" target="_blank">andrewlee.cp@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">I have a related question. With the current version of PWSCF, is it possible only to do the electric field perturbation? If possible, how to setup the input parameters? Thanks<div>
<br></div><div>Best,</div><div>Zhenyu</div>
<div><br></div><div>University of Science and Technology of China</div><div>Hefei, Anhui 230026, China<br><br><div class="gmail_quote"><div><div></div><div>On Wed, Feb 11, 2009 at 1:07 AM, Ary Junior <span dir="ltr"><<a href="mailto:aryjunior@gmail.com" target="_blank">aryjunior@gmail.com</a>></span> wrote:<br>
</div></div><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div><div></div><div>Hello,<br><br>I have a very large system and I must do a phonon
calculation. This calculation takes months, so I want to do with only
few atoms. But the variable nat_todo seems to not work. When I enable
the variable for a little system, it only makes the calculation ph.x to
the atoms that I ask, but with my system of interest, no matter if I
insert nat_todo, nrapp or maxirr, it continues making 3*n
representations.<br><br>Thanks very much!<br>
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<br></blockquote></div><br><br clear="all"><br></div></div><font color="#888888">-- <br>Hai-Ping Lan <br>Department of Electronics ,<br>Peking University , Bejing, 100871<br><a href="mailto:lanhaiping@gmail.com" target="_blank">lanhaiping@gmail.com</a>, <a href="mailto:hplan@pku.edu.cn" target="_blank">hplan@pku.edu.cn</a><br>
</font></blockquote></div><br><br clear="all"><br>-- <br>Hai-Ping Lan <br>Department of Electronics ,<br>Peking University , Bejing, 100871<br><a href="mailto:lanhaiping@gmail.com">lanhaiping@gmail.com</a>, <a href="mailto:hplan@pku.edu.cn">hplan@pku.edu.cn</a><br>