Hi Poonam Sharma and QE friends, You might consider using ASE (https://wiki.fysik.dtu.dk/ase/) for this.
From the top of my head: ase convert -i vasp -o espresso POSCAR system.pwi or something similar. Try at least the following commands for information: ase convert --help ase info --formats Met vriendelijke groeten, Mit freundlichen Grüßen, With kind regards, Willem Offermans Researcher Electrocatalysis SCT VITO NV | Boeretang 200 | 2400 Mol Phone:+32(0)14335263 Mobile:+32(0)492182073 [email protected]<mailto:[email protected]> [cid:[email protected]] On 6 May 2020, at 07:13, Poonam Kaushik <[email protected]<mailto:[email protected]>> wrote: Dear all, I want to convert a POSCAR file into the QE input file. I would be very grateful if somebody helps or give suggestions. Fe1 S1 1.0000000000000000 5.9487492159093023 -0.0000000000000000 -0.0000000000000000 -2.9743746079546511 5.1517679417117126 0.0000000000000000 -0.0000000000000000 0.0000000000000000 11.7211034581915818 Fe S 12 12 Direct 0.3954866316692124 0.0721204949184797 0.1217724210678790 0.9278795160815250 0.3233661487507409 0.1217724210678790 0.6766338512492591 0.6045133683307876 0.1217724210678790 0.3954866316692124 0.0721204949184797 0.3782275859321179 0.9278795160815250 0.3233661487507409 0.3782275859321179 0.6766338512492591 0.6045133683307876 0.3782275859321179 0.0721204949184797 0.3954866316692124 0.8782275859321180 0.3233661487507409 0.9278795160815250 0.8782275859321180 0.6045133683307876 0.6766338512492591 0.8782275859321180 0.0721204949184797 0.3954866316692124 0.6217724140678820 0.3233661487507409 0.9278795160815250 0.6217724140678820 0.6045133683307876 0.6766338512492591 0.6217724140678820 -0.0000000000000000 -0.0000000000000000 0.0000000000000000 -0.0000000000000000 -0.0000000000000000 0.5000000000000000 0.3333333429999996 0.6666666870000029 0.0251416953082458 0.3333333429999996 0.6666666870000029 0.4748582936917498 0.6666666870000029 0.3333333429999996 0.9748582936917498 0.6666666870000029 0.3333333429999996 0.5251417063082502 0.6643064194527374 0.9999477489745914 0.2500000000000000 0.0000522750254107 0.6643586704781460 0.2500000000000000 0.3356412995218515 0.3356935805472627 0.2500000000000000 0.9999477489745914 0.6643064194527374 0.7500000000000000 0.6643586704781460 0.0000522750254107 0.7500000000000000 0.3356935805472627 0.3356412995218515 0.7500000000000000 Thanks, Poonam S ------------------------------------------------------------------------------------------------- Poonam Sharma Research Scholar Department of Physics Indian Institute of Technology Bombay Mumbai - 400076 India. _______________________________________________ Quantum ESPRESSO is supported by MaX (https://eur02.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.max-centre.eu%2Fquantum-espresso&data=02%7C01%7Cwillem.offermans%40vito.be%7C562b15aa04104517fdfd08d7f17c63f0%7C9e2777ed82374ab992782c144d6f6da3%7C0%7C0%7C637243388865544165&sdata=m6L%2BoAn32eQrlruJL2YvpmAKVsSJ3aeelpHwBmOXsew%3D&reserved=0) users mailing list [email protected]<mailto:[email protected]> https://eur02.safelinks.protection.outlook.com/?url=https%3A%2F%2Flists.quantum-espresso.org%2Fmailman%2Flistinfo%2Fusers&data=02%7C01%7Cwillem.offermans%40vito.be%7C562b15aa04104517fdfd08d7f17c63f0%7C9e2777ed82374ab992782c144d6f6da3%7C0%7C0%7C637243388865544165&sdata=0Wfx5W%2B6FCV11aAPVXU7qbl9BSBc1XAwYmB68ucq%2BLI%3D&reserved=0 VITO Disclaimer: http://www.vito.be/e-maildisclaimer
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