<div dir="ltr"><div> dear experts</div><div>in the cpmd calculation i need to plot time vs energy,time vs distance and temperature vs position of atoms . below attached one of the cp .evp file .please let me know which is cloumn is time step and temp and energy (5th column , i red out).</div><div><br></div><div> 10 1.70423 0.0 0.0 0.18278 0.18278 0.18278 1.88701 1000.00 0.00 0.00097</div><div> 20 0.13816 0.0 0.0 -10.85317 -10.85317 -10.85317 -10.71500 1000.00 0.00 0.00194</div><div> 30 0.02840 0.0 0.0 -12.07282 -12.07282 -12.07282 -12.04443 1000.00 0.00 0.00290</div><div> 40 0.01493 0.0 0.0 -12.45775 -12.45775 -12.45775 -12.44281 1000.00 0.00 0.00387</div><div> 50 0.01292 0.0 0.0 -12.73067 -12.73067 -12.73067 -12.71775 1000.00 0.00 0.00484</div><div> 60 0.12958 0.0 0.0 -13.28291 -13.28291 -13.28291 -13.15333 1000.00 0.00 0.00581</div><div> 70 0.01782 0.0 0.0 -13.41392 -13.41392 -13.41392 -13.39610 1000.00 0.00 0.00677</div><div> 80 0.00190 0.0 0.0 -13.42838 -13.42838 -13.42838 -13.42648 1000.00 0.00 0.00774</div><div> 90 0.00016 0.0 0.0 -13.42907 -13.42907 -13.42907 -13.42890 1000.00 0.00 0.00871</div><div> 100 0.00005 0.0 0.0 -13.42937 -13.42937 -13.42937 -13.42933 1000.00 0.00 0.00968</div><div> 110 0.00152 0.0 2620.4 -13.46880 -13.46880 -13.44284 -13.44132 1000.00 3.46 0.01088</div><div> 120 0.00224 0.0 2941.0 -13.51443 -13.51443 -13.48524 -13.48299 1000.00 0.71 0.01209</div><div> 130 0.00143 0.0 1581.7 -13.53318 -13.53318 -13.51741 -13.51598 1000.00 -1.18 0.01330</div><div> 140 0.00073 0.0 632.3 -13.53987 -13.53987 -13.53351 -13.53278 1000.00 -2.12 0.01451</div><div> 150 0.00036 0.0 213.2 -13.54268 -13.54268 -13.54050 -13.54014 1000.00 -2.53 0.01572</div><div> 160 0.00018 0.0 64.8 -13.54411 -13.54411 -13.54343 -13.54326 1000.00 -2.70 0.01693</div><div> 170 0.00009 0.0 20.7 -13.54491 -13.54491 -13.54468 -13.54460 1000.00 -2.76 0.01814</div><div> 180 0.00004 0.0 9.5 -13.54535 -13.54535 -13.54525 -13.54520 1000.00 -2.76 0.01935</div><div> 190 0.00002 0.0 6.7 -13.54559 -13.54559 -13.54552 -13.54550 1000.00 -2.75 0.02056</div><div> 200 0.00001 0.0 5.3 -13.54572 -13.54572 -13.54566 -13.54565 1000.00 -2.73 0.02177</div><div> 210 0.00000 0.0 4.2 -13.54579 -13.54579 -13.54575 -13.54574 1000.00 -2.72 0.02298</div><div> 220 0.00000 0.0 3.2 -13.54583 -13.54583 -13.54580 -13.54580 1000.00 -2.70 0.02419</div><div> 230 0.00000 0.0 2.5 -13.54587 -13.54587 -13.54584 -13.54584 1000.00 -2.69 0.02540</div><div> 240 0.00000 0.0 2.0 -13.54589 -13.54589 -13.54587 -13.54587 1000.00 -2.69 0.02661</div><div> 250 0.00000 0.0 1.6 -13.54591 -13.54591 -13.54589 -13.54589 1000.00 -2.68 0.02782</div><div> 260 0.00000 0.0 1.3 -13.54593 -13.54593 -13.54591 -13.54591 1000.00 -2.68 0.02903</div><div> 270 0.00000 0.0 1.1 -13.54594 -13.54594 -13.54593 -13.54593 1000.00 -2.68 0.03024</div><div> 280 0.00000 0.0 1.0 -13.54595 -13.54595 -13.54594 -13.54594 1000.00 -2.68 0.03145</div><div> 290 0.00000 0.0 0.8 -13.54596 -13.54596 -13.54596 -13.54596 1000.00 -2.68 0.03265</div><div> 300 0.00000 0.0 0.7 -13.54597 -13.54597 -13.54597 -13.54597 1000.00 -2.68 0.03386</div><div> 310 0.00005 0.0 0.0 -13.54555 -13.54555 -13.54555 -13.54550 1000.00 0.00 0.03483</div><div> 320 0.00001 0.0 0.0 -13.54582 -13.54582 -13.54582 -13.54581 1000.00 0.00 0.03580</div><div> 330 0.00000 0.0 0.0 -13.54586 -13.54586 -13.54586 -13.54585 1000.00 0.00 0.03677</div><div> 340 0.00000 0.0 0.0 -13.54586 -13.54586 -13.54586 -13.54586 1000.00 0.00 0.03773</div><div> 350 0.00000 0.0 0.0 -13.54586 -13.54586 -13.54586 -13.54586 1000.00 0.00 0.03870</div><div><br></div><div><br></div>-- <br><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div style="text-align:left"><em><font color="#999999" style="background-color:rgb(243,243,243)">Best regards,</font></em></div><div style="text-align:left"><em><font color="#999999" style="background-color:rgb(243,243,243)">Rajkamal.A.</font></em></div><div style="text-align:left"><em><font color="#999999" style="background-color:rgb(243,243,243)">Research Scholar,(SRM UNIV).</font></em></div></div></div></div></div>
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