<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Dear Tanyci,<div><br></div><div>I am very pleased of your interest in the Quantum ESPRESSO software and even flattered for the choice of your nickname. However, I would like to inform you that "quantum espresso" is a registered mark, owned by the Quantum ESPRESSO Foundation (QEF, <a href="http://foundation.quantum-espresso.org">http://foundation.quantum-espresso.org</a>). I am not sure that the use of your chosen nickname does not infringe the terms of the mark registration, but I think it is not worth investigating the legal terms of this matter. I would only like to make you notice that the QEF is a non profit organization whose only mission is to foster the development, distribution, and openness of the QE software. I believe that it is in the interest of the entire QE community that the use of the QE marks and logos are reserved to a community-oriented use, and i would like to kindly ask you to choose a different nickname for yourself, reflecting more your own identity than your enthusiasm for Quantum ESPRESSO (which is shared by many users, and certainly by myself!).</div><div><br></div><div>Hope you do not feel hurt by this request, and I wish you a most happy and successful 2013!</div><div><br></div><div>All the best,</div><div>Stefano B</div><div><br><div><br></div><div><br><div><div>On Jan 7, 2013, at 11:27 AM, espresso quantum wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div dir="ltr"><div style="font-family:arial,sans-serif;font-size:14px"><div><div><div><div><div><div><div><div><div>dear all<br></div><br></div>I have calculated gamma phonon frequencies of bilayer graphene.<br></div>the mode symmetry in the ph.out is "C3_v", however that should be "D3d".<br>
</div>i hope you would like to give me some help, thanks in advance !!<br><br></div>input files are below.<br><br></div><a href="http://scf.in/" target="_blank">scf.in</a><br><br>&control<br> calculation='scf',<br>
prefix='graphene',<br> restart_mode='from_scratch',<br> pseudo_dir = '/home/tanyci/work/espresso-4.3.2/pseudo',<br> etot_conv_thr=1.0D-10,<br> forc_conv_thr=1.0D-9,<br> tstress=.true.,<br>
tprnfor=.true.,<br> nstep=500,<br>/<br>&system<br> ibrav=0,<br> celldm(1)=4.66,<br> nat=4,<br> ecutwfc=60.0,<br> ntyp=1<br> occupations='smearing'<br> degauss=0.02<br> smearing='marzari-vanderbilt' <br>
/<br>&electrons<br> conv_thr = 1.D-12,<br> mixing_beta = 0.3D0,<br>/<br>ATOMIC_SPECIES {alat}<br> C 12.01100 C.pz-vbc.UPF<br>CELL_PARAMETERS (alat=4.66000000){hexagonal}<br> 0.999984012 0.000000000 0.000000000<br>
-0.499992006 0.866011558 0.000000000<br> 0.000000000 0.000000000 12.188495864<br><br>ATOMIC_POSITIONS (crystal)<br>C 0.000000000 0.000000000 0.006040000<br>C 0.000000000 0.000000000 0.113900000<br>
C 0.333333000 0.666670000 0.006040000<br>C 0.666667000 0.333330000 0.113900000<br><br>K_POINTS automatic<br> 32 32 1 0 0 0<br><br></div><a href="http://ph.in/" target="_blank">ph.in</a><br><br>phonons of graphene at gamma<br>
&inputph<br> tr2_ph=1.0d-14,<br> prefix='graphene',<br> epsil=.false.,<br> trans=.true.,<br> amass(1)=12.011 ,<br> fildyn='graphene.dyn_G',<br> fildrho='graphene.drho_G',<br> /<br>0.0 0.0 0.0 <br>
<br><br> <br><br></div> tanyci<br></div> nankai university<br>
</div><span style="font-family:arial,sans-serif;font-size:14px"> </span><span style="font-family:arial,sans-serif;font-size:14px"> </span><span style="font-family:arial,sans-serif;font-size:14px"> </span><span style="font-family:arial,sans-serif;font-size:14px"> </span><span style="font-family:arial,sans-serif;font-size:14px"> Tianjin China</span><br>
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margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font-size: 14px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">---</span></font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font-size: 14px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">Stefano Baroni - </span></font><span class="Apple-style-span" style="font-size: 12px; "> </span><span class="Apple-style-span" style="font-size: 12px; "><a href="http://stefano.baroni.me/">http://stefano.baroni.me</a>, </span><span class="Apple-style-span" style="font-size: 12px; ">stefanobaroni (skype)</span></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font-size: 14px; "><span class="Apple-style-span" style="font-size: 12px; "></span><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">on leave of absence from SISSA, Trieste, </span></font><span class="Apple-style-span" style="font-size: 12px; ">presently at the Department of Materials, EPF Lausanne (until March 2013)</span></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font-size: 14px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; "><br></span></font></div></div></div></div></span></span></div></div></div></span></span></div></div></span><span class="Apple-style-span" style="font-size: 12px; ">I believe in the despotism of human life and happiness against the liberty of money and possessions - John Steinbeck</span></div></span><br class="Apple-interchange-newline"></div></span><br class="Apple-interchange-newline"></div></span><br class="Apple-interchange-newline"></div></span><br class="Apple-interchange-newline"></span><br class="Apple-interchange-newline">
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