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    Dear all,<br>
    <br>
    I apologize for having bothered you, this message was addressed to
    the forum.<br>
    <br>
         Éric.<br>
    <br>
    On 09/10/2011 01:03 PM, Eric Germaneau wrote:
    <blockquote cite="mid:4E6B9852.6080207@gucas.ac.cn" type="cite">
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      Hey Paul,<br>
      <br>
      I got stuck in my phonon calculations ....<br>
      May I inquire to send me your inputs files.<br>
      Do you also compute the dispersion curves?<br>
      Also I wonder whether I have to use a super cell or not.<br>
      Thank you,<br>
      <br>
                     Éric.<br>
      <br>
      On 02/22/2011 12:17 PM, Paul Jennings wrote:
      <blockquote cite="mid:4D63EFA0.5090701@bham.ac.uk" type="cite">
        <pre wrap="">Thank you very much,
It now works.

Cheers,
Paul

On 21/02/2011 12:37, Eyvaz Isaev wrote:
</pre>
        <blockquote type="cite">
          <pre wrap="">Hi,

You could try in two ways:

1. K_POINTS  automatic
     1 1 1 0 0 0

This will give you only Gamma point, and G-point tricky will be avoided
(hopefully).

2. You can specify in ph.in file

ldisp=.true.
nq1=2, nq2=2, nq3=2
start_q=1
last_q=1

G-point is the first in the q-list generated.

Bests,
Eyvaz.

-------------------------------------------------------------------
Prof. Eyvaz Isaev,
Department of Physics, Chemistry, and Biology (IFM), Linkoping University,
Sweden

Theoretical Physics Department, Moscow State Institute of Steel&  Alloys,
Russia,

<a moz-do-not-send="true" class="moz-txt-link-abbreviated" href="mailto:isaev@ifm.liu.se">isaev@ifm.liu.se</a>, <a moz-do-not-send="true" class="moz-txt-link-abbreviated" href="mailto:eyvaz_isaev@yahoo.com">eyvaz_isaev@yahoo.com</a>



----- Original Message ----
From: Paul Jennings<a moz-do-not-send="true" class="moz-txt-link-rfc2396E" href="mailto:pcj994@bham.ac.uk"><pcj994@bham.ac.uk></a>
To: <a moz-do-not-send="true" class="moz-txt-link-abbreviated" href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a>
Sent: Mon, February 21, 2011 3:00:15 PM
Subject: [Pw_forum] Phonones


Dear QE users

I try to do a gamma point phonon calculations for say Au6. After doing a SCF
calculation (at the gamme point)
and using the input file for ph.x of the form:

Phonons of Au6 at Gamma
   &inputph
    tr2_ph=1.0d-14,
    amass(1)=196.97,
    prefix="Au6_dos",
    outdir="/scratch/heiless",
    fildyn="Au6.dynG",
   /
   0.0 0.0 0.0


the program comes up with the following error message:

from phq_readin : error #         1
cannot start from pw.x data file using Gamma-point tricks

The procedure I used works well for solid Si but unfortunately I don't know what
the problem for this small
cluster is.

Any help would be appreciated.
Many thanks,
Paul


</pre>
        </blockquote>
      </blockquote>
      <br>
      <div class="moz-signature">-- <br>
        <center> <font color="#946e8c"> <em> Be the change you wish to
              see in the world<br>
            </em> <small> <font color="#946e8c"> — Mahatma Gandhi —<br>
              </font></small> <br>
            <a moz-do-not-send="true"
              href="http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986">Dr.

              Éric Germaneau</a><br>
            <br>
            Graduate University of Chinese Academy of Sciences<br>
            College of Physical Sciences<br>
            Yuquan Road 19A<br>
            Beijing 100049<br>
            China<br>
            <br>
            <small> <em> <font style="color: #498848" face="Times">
                  Please, if possible, don't send me MS Word or
                  PowerPoint attachments<br>
                  Why? See: <a moz-do-not-send="true"
                    href="http://www.gnu.org/philosophy/no-word-attachments.html"
                    style="text-decoration:none"><font color="#498848">http://www.gnu.org/philosophy/no-word-attachments.html</font></a>
                </font></em> </small> </font></center>
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      <pre wrap="">_______________________________________________
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</pre>
    </blockquote>
    <br>
    <div class="moz-signature">-- <br>
      <center>
        <font color="#946e8c">
          <em>
            Be the change you wish to see in the world<br>
          </em>
          <small>
            <font color="#946e8c">
              — Mahatma Gandhi —<br>
            </font></small>
          <br>
          <a
            href="http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986">Dr.
            Éric Germaneau</a><br>
          <br>
          Graduate University of Chinese Academy of Sciences<br>
          College of Physical Sciences<br>
          Yuquan Road 19A<br>
          Beijing 100049<br>
          China<br>
          <br>
          <small>
            <em>
              <font style="color: #498848" face="Times">
                Please, if possible, don't send me MS Word or PowerPoint
                attachments<br>
                Why? See: <a
                  href="http://www.gnu.org/philosophy/no-word-attachments.html"
                  style="text-decoration:none"><font color="#498848">http://www.gnu.org/philosophy/no-word-attachments.html</font></a>
              </font></em>
          </small>
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