<html>
<head>
<style><!--
.hmmessage P
{
margin:0px;
padding:0px
}
body.hmmessage
{
font-size: 12pt;
font-family:Calibri
}
--></style></head>
<body class='hmmessage'><div dir='ltr'>Hello all,<div><br></div><div>(A) I have sent a few e-mails regarding some questions I have..but I got no response. Please I do not need some help in this as I tried to resolve on my own but in vain. I am trying to calculate the electron phonon coefficient lambda using matdyn.x with the option dos=.true.. I used parallel computing. However, whatever node or number of processors I use, the code generates the DOS file but stops before generating lambda.</div><div><br></div><div>the error in the output file is:</div><div><br></div><div>"<span style="font-size: 12pt;"> Max |d(i,j)-d*(j,i)| = 0.004615</span></div><div> Max |d(i,j)-d*(j,i)|/|d(i,j)|: ********%</div><div> Max |d(i,j)-d*(j,i)| = 0.004615</div><div> Max |d(i,j)-d*(j,i)|/|d(i,j)|: ********%</div><div> Max |d(i,j)-d*(j,i)| = 0.004615</div><div> Max |d(i,j)-d*(j,i)|/|d(i,j)|: ********%</div><div> Max |d(i,j)-d*(j,i)| = 0.004615</div><div> Max |d(i,j)-d*(j,i)|/|d(i,j)|: ********%</div><div> Max |d(i,j)-d*(j,i)| = 0.004615</div><div> Max |d(i,j)-d*(j,i)|/|d(i,j)|: ********%</div><div>rank 0 in job 1 veredas74_52575 caused collective abort of all ranks</div><div> exit status of rank 0: return code 24"</div><div><br></div><div>I have tried running this on my desktop (serial) ..I have copied the a2F files 51--60 and the .fc file all in one folder and when I execute matdyn.x, another error occurs:</div><div><br></div><div>"<span style="font-size: 12pt;">At line 1940 of file matdyn.f90 (unit = 61, file = 'a2Fmatdyn.61')</span></div><div>Fortran runtime error: End of file"</div><div><br></div><div>with an empty a2Fmatdyn.61 file. I understood that the code is trying to read the a2F...but from where is it reading it? Is there a file other than the ones I copied into the folder?</div><div><br></div><div>My input is:</div><div><br></div><div>"<span style="font-size: 12pt;"> &input</span></div><div> asr='simple',</div><div> dos=.true.,</div><div> la2F=.true.,</div><div> amass(1)=12.0107,</div><div> flfrc='elphag2ga.fc',</div><div> fldos='elphag2ga.phdos',</div><div> flfrq='elphag2ga.freq',</div><div> nk1=45, nk2=45, nk3=1,</div><div> ndos=50</div><div> /</div><div>"</div><div><br></div><div>(B) A second fast question. For the lambda.x inout, how can I use kpoints.x to produce 13 points.?My phonon calculations have 13 phonon points in the phonon grid.</div><div><br></div><div>Any help would be appreciated..Thanks</div><div><br></div><div>Elio Nahad</div><div>University of Rondonia</div><div>Brazil</div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div> </div></body>
</html>