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Hi Poonam Sharma and QE friends,
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<div class="">You might consider using ASE (<a href="https://wiki.fysik.dtu.dk/ase/" class="">https://wiki.fysik.dtu.dk/ase/</a>) for this.</div>
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<div class="">From the top of my head:</div>
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<div class="">ase convert -i vasp -o espresso POSCAR system.pwi </div>
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<div class="">or something similar.</div>
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<div class="">Try at least the following commands for information:</div>
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<div class="">ase convert --help</div>
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<div class="">ase info --formats</div>
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Met vriendelijke groeten,</div>
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Mit freundlichen Grüßen,</div>
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With kind regards,</div>
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Willem Offermans</div>
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Researcher Electrocatalysis SCT</div>
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Phone:+32(0)14335263 Mobile:+32(0)492182073 </div>
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<div class="">On 6 May 2020, at 07:13, Poonam Kaushik <<a href="mailto:poonamkaushik40@gmail.com" class="">poonamkaushik40@gmail.com</a>> wrote:</div>
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<div dir="ltr" class="">Dear all,
<div class="">I want to convert a POSCAR file into the QE input file. I would be very grateful if somebody helps or give suggestions.</div>
<div class="">Fe1 S1 <br class="">
1.0000000000000000 <br class="">
5.9487492159093023 -0.0000000000000000 -0.0000000000000000<br class="">
-2.9743746079546511 5.1517679417117126 0.0000000000000000<br class="">
-0.0000000000000000 0.0000000000000000 11.7211034581915818<br class="">
Fe S <br class="">
12 12<br class="">
Direct<br class="">
0.3954866316692124 0.0721204949184797 0.1217724210678790<br class="">
0.9278795160815250 0.3233661487507409 0.1217724210678790<br class="">
0.6766338512492591 0.6045133683307876 0.1217724210678790<br class="">
0.3954866316692124 0.0721204949184797 0.3782275859321179<br class="">
0.9278795160815250 0.3233661487507409 0.3782275859321179<br class="">
0.6766338512492591 0.6045133683307876 0.3782275859321179<br class="">
0.0721204949184797 0.3954866316692124 0.8782275859321180<br class="">
0.3233661487507409 0.9278795160815250 0.8782275859321180<br class="">
0.6045133683307876 0.6766338512492591 0.8782275859321180<br class="">
0.0721204949184797 0.3954866316692124 0.6217724140678820<br class="">
0.3233661487507409 0.9278795160815250 0.6217724140678820<br class="">
0.6045133683307876 0.6766338512492591 0.6217724140678820<br class="">
-0.0000000000000000 -0.0000000000000000 0.0000000000000000<br class="">
-0.0000000000000000 -0.0000000000000000 0.5000000000000000<br class="">
0.3333333429999996 0.6666666870000029 0.0251416953082458<br class="">
0.3333333429999996 0.6666666870000029 0.4748582936917498<br class="">
0.6666666870000029 0.3333333429999996 0.9748582936917498<br class="">
0.6666666870000029 0.3333333429999996 0.5251417063082502<br class="">
0.6643064194527374 0.9999477489745914 0.2500000000000000<br class="">
0.0000522750254107 0.6643586704781460 0.2500000000000000<br class="">
0.3356412995218515 0.3356935805472627 0.2500000000000000<br class="">
0.9999477489745914 0.6643064194527374 0.7500000000000000<br class="">
0.6643586704781460 0.0000522750254107 0.7500000000000000<br class="">
0.3356935805472627 0.3356412995218515 0.7500000000000000<br class="">
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<div class="">Thanks,</div>
<div class="">Poonam S</div>
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<div dir="ltr" class="">-------------------------------------------------------------------------------------------------<br class="">
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<div dir="ltr" class="">Poonam Sharma
<div class="">Research Scholar </div>
<div class="">Department of Physics</div>
<div class="">Indian Institute of <span class="">Technology Bombay</span></div>
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<div class="">Mumbai - 400076<br class="">
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India.<br class="">
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