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<body class='hmmessage'><div dir='ltr'>Dear all, <div><br></div><div>My goal is to calculate the electron phonon coupling (lambda) for a system. In the guide it says that using lambda.x with dos=.true. will produce phonon DOS and output the value of lambda. However when I apply matdyn.x with dos=.true. and la2F=.true.,</div><div>the calculations start but then the code stops with the error (without outputting the value of lambda!)</div><div><br></div><div>"<span style="font-size: 12pt;">Max |d(i,j)-d*(j,i)|/|d(i,j)|: ********%</span></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 veredas44_36139 caused collective abort of all ranks</div><div> exit status of rank 0: killed by signal 9"</div><div><br></div><div>Is that error related to the input of the matdyn file or is it due to something else?</div><div><br></div><div>I use espresso 5.0.1 and the input of the matdyn file 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> flfrq='elphag2ga.freq',</div><div> fldos='elphag2ga.phdos',</div><div> nk1=120 nk2=120 nk3=1,</div><div> ndos=100</div><div> /</div><div><br></div><div>Thanks in advance</div> </div></body>
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