<html>
<head>
<style><!--
.hmmessage P
{
margin:0px;
padding:0px
}
body.hmmessage
{
font-size: 10pt;
font-family:Tahoma
}
--></style></head>
<body class='hmmessage'><div dir='ltr'>
Dear all,<div><br></div><div>Sorry to disturb you again with my question on el-phonon coupling. I am a bit confused about things..My input for matdyn.in file is:</div><div><br></div><div>"<span style="font-size: 10pt; ">&input</span></div><div> asr = 'crystal',</div><div> amass(1) = 12.0107 ,</div><div> flfrc = 'elphmgraph.fc',</div><div> flfrq = 'elphmgraph.freq',</div><div> la2F=.true.,</div><div> dos=.true.,</div><div> fldos= 'elphmgraph.dos',</div><div> nk1=10, nk2=10, nk3=1, ndos=50</div><div>"</div><div>(1) Are the (nk1, nk2, nk3) points in q-space along which the DOS will be calculated?</div><div>(2) what is the meaning of ndos ?</div><div><br></div><div>My output for the el-phonon lambda coefficient is the following (lambda.x):</div><div><br></div><div>"<span style="font-size: 10pt; "> lambda = 0.132336 ( 0.000000) <log w>= 2442.211K N(Ef)= 0.125375 at degauss=0.005</span></div><div> lambda = 0.060186 ( 0.000000) <log w>= 2442.211K N(Ef)= 0.069039 at degauss=0.010</div><div> lambda = 0.025467 ( 0.000000) <log w>= 2442.211K N(Ef)= 0.084136 at degauss=0.015</div><div> lambda = 0.017078 ( 0.000044) <log w>= 1854.271K N(Ef)= 0.112212 at degauss=0.020</div><div> lambda = 0.015266 ( 0.000282) <log w>= 1854.271K N(Ef)= 0.140938 at degauss=0.025</div><div> lambda = 0.015856 ( 0.000682) <log w>= 1854.271K N(Ef)= 0.170144 at degauss=0.030</div><div> lambda = 0.017428 ( 0.001112) <log w>= 1854.271K N(Ef)= 0.199989 at degauss=0.035</div><div> lambda = 0.019354 ( 0.001435) <log w>= 1847.432K N(Ef)= 0.230702 at degauss=0.040</div><div> lambda = 0.021508 ( 0.001572) <log w>= 1822.899K N(Ef)= 0.262647 at degauss=0.045</div><div> lambda = 0.023948 ( 0.001582) <log w>= 1662.813K N(Ef)= 0.296316 at degauss=0.050</div><div>lambda omega_log T_c</div><div> 0.13234 2442.211 0.000</div><div> 0.06019 2442.211 *********</div><div> 0.02547 2442.211 *********</div><div> 0.01708 1854.271 *********</div><div> 0.01527 1854.271 *********</div><div> 0.01586 1854.271 *********</div><div> 0.01743 1854.271 *********</div><div> 0.01935 1847.432 *********</div><div> 0.02151 1822.899 *********</div><div> 0.02395 1662.813 *********</div><div>"</div><div><br></div><div>(1) What are the above degauss values? what are they 10 in number?</div><div>(2) Tc is 0.0 and not being able to be computed for other values of lambda. Is the output normal? or is there something that went wrong in the execution?</div><div><br></div><div>Thanks a lot again</div><div><br></div><div>Eie Koujes</div><div>Universit of Notts</div><div>NG7 2RD</div><div>UK</div> </div></body>
</html>