{"intvolume":"        29","date_created":"2019-10-11T10:45:17Z","date_updated":"2025-12-16T07:55:01Z","volume":29,"publication_identifier":{"issn":["0953-8984","1361-648X"]},"type":"journal_article","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"author":[{"last_name":"Giannozzi","full_name":"Giannozzi, P","first_name":"P"},{"last_name":"Andreussi","full_name":"Andreussi, O","first_name":"O"},{"last_name":"Brumme","full_name":"Brumme, T","first_name":"T"},{"last_name":"Bunau","full_name":"Bunau, O","first_name":"O"},{"last_name":"Buongiorno Nardelli","full_name":"Buongiorno Nardelli, M","first_name":"M"},{"first_name":"M","last_name":"Calandra","full_name":"Calandra, M"},{"first_name":"R","full_name":"Car, R","last_name":"Car"},{"first_name":"C","full_name":"Cavazzoni, C","last_name":"Cavazzoni"},{"full_name":"Ceresoli, D","last_name":"Ceresoli","first_name":"D"},{"last_name":"Cococcioni","full_name":"Cococcioni, M","first_name":"M"},{"last_name":"Colonna","full_name":"Colonna, N","first_name":"N"},{"last_name":"Carnimeo","full_name":"Carnimeo, I","first_name":"I"},{"last_name":"Dal Corso","full_name":"Dal Corso, A","first_name":"A"},{"first_name":"S","last_name":"de Gironcoli","full_name":"de Gironcoli, S"},{"first_name":"P","full_name":"Delugas, P","last_name":"Delugas"},{"last_name":"DiStasio","full_name":"DiStasio, R A","first_name":"R A"},{"full_name":"Ferretti, A","last_name":"Ferretti","first_name":"A"},{"first_name":"A","last_name":"Floris","full_name":"Floris, A"},{"first_name":"G","last_name":"Fratesi","full_name":"Fratesi, G"},{"first_name":"G","full_name":"Fugallo, G","last_name":"Fugallo"},{"full_name":"Gebauer, R","last_name":"Gebauer","first_name":"R"},{"id":"171","first_name":"Uwe","orcid":"0000-0002-4476-223X","full_name":"Gerstmann, Uwe","last_name":"Gerstmann"},{"first_name":"F","last_name":"Giustino","full_name":"Giustino, F"},{"last_name":"Gorni","full_name":"Gorni, T","first_name":"T"},{"full_name":"Jia, J","last_name":"Jia","first_name":"J"},{"first_name":"M","last_name":"Kawamura","full_name":"Kawamura, M"},{"full_name":"Ko, H-Y","last_name":"Ko","first_name":"H-Y"},{"first_name":"A","last_name":"Kokalj","full_name":"Kokalj, A"},{"last_name":"Küçükbenli","full_name":"Küçükbenli, E","first_name":"E"},{"first_name":"M","full_name":"Lazzeri, M","last_name":"Lazzeri"},{"first_name":"M","last_name":"Marsili","full_name":"Marsili, M"},{"last_name":"Marzari","full_name":"Marzari, N","first_name":"N"},{"full_name":"Mauri, F","last_name":"Mauri","first_name":"F"},{"full_name":"Nguyen, N L","last_name":"Nguyen","first_name":"N L"},{"full_name":"Nguyen, H-V","last_name":"Nguyen","first_name":"H-V"},{"first_name":"A","full_name":"Otero-de-la-Roza, A","last_name":"Otero-de-la-Roza"},{"last_name":"Paulatto","full_name":"Paulatto, L","first_name":"L"},{"first_name":"S","full_name":"Poncé, S","last_name":"Poncé"},{"last_name":"Rocca","full_name":"Rocca, D","first_name":"D"},{"first_name":"R","last_name":"Sabatini","full_name":"Sabatini, R"},{"last_name":"Santra","full_name":"Santra, B","first_name":"B"},{"full_name":"Schlipf, M","last_name":"Schlipf","first_name":"M"},{"first_name":"A P","last_name":"Seitsonen","full_name":"Seitsonen, A P"},{"first_name":"A","last_name":"Smogunov","full_name":"Smogunov, A"},{"first_name":"I","full_name":"Timrov, I","last_name":"Timrov"},{"first_name":"T","full_name":"Thonhauser, T","last_name":"Thonhauser"},{"first_name":"P","full_name":"Umari, P","last_name":"Umari"},{"full_name":"Vast, N","last_name":"Vast","first_name":"N"},{"full_name":"Wu, X","last_name":"Wu","first_name":"X"},{"first_name":"S","full_name":"Baroni, S","last_name":"Baroni"}],"status":"public","funded_apc":"1","language":[{"iso":"eng"}],"doi":"10.1088/1361-648x/aa8f79","publication_status":"published","article_number":"465901","issue":"46","user_id":"16199","publication":"Journal of Physics: Condensed Matter","title":"Advanced capabilities for materials modelling with Quantum ESPRESSO","citation":{"ama":"Giannozzi P, Andreussi O, Brumme T, et al. Advanced capabilities for materials modelling with Quantum ESPRESSO. <i>Journal of Physics: Condensed Matter</i>. 2017;29(46). doi:<a href=\"https://doi.org/10.1088/1361-648x/aa8f79\">10.1088/1361-648x/aa8f79</a>","short":"P. Giannozzi, O. Andreussi, T. Brumme, O. Bunau, M. Buongiorno Nardelli, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, M. Cococcioni, N. Colonna, I. Carnimeo, A. Dal Corso, S. de Gironcoli, P. Delugas, R.A. DiStasio, A. Ferretti, A. Floris, G. Fratesi, G. Fugallo, R. Gebauer, U. Gerstmann, F. Giustino, T. Gorni, J. Jia, M. Kawamura, H.-Y. Ko, A. Kokalj, E. Küçükbenli, M. Lazzeri, M. Marsili, N. Marzari, F. Mauri, N.L. Nguyen, H.-V. Nguyen, A. Otero-de-la-Roza, L. Paulatto, S. Poncé, D. Rocca, R. Sabatini, B. Santra, M. Schlipf, A.P. Seitsonen, A. Smogunov, I. Timrov, T. Thonhauser, P. Umari, N. Vast, X. Wu, S. Baroni, Journal of Physics: Condensed Matter 29 (2017).","chicago":"Giannozzi, P, O Andreussi, T Brumme, O Bunau, M Buongiorno Nardelli, M Calandra, R Car, et al. “Advanced Capabilities for Materials Modelling with Quantum ESPRESSO.” <i>Journal of Physics: Condensed Matter</i> 29, no. 46 (2017). <a href=\"https://doi.org/10.1088/1361-648x/aa8f79\">https://doi.org/10.1088/1361-648x/aa8f79</a>.","apa":"Giannozzi, P., Andreussi, O., Brumme, T., Bunau, O., Buongiorno Nardelli, M., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Cococcioni, M., Colonna, N., Carnimeo, I., Dal Corso, A., de Gironcoli, S., Delugas, P., DiStasio, R. A., Ferretti, A., Floris, A., Fratesi, G., … Baroni, S. (2017). Advanced capabilities for materials modelling with Quantum ESPRESSO. <i>Journal of Physics: Condensed Matter</i>, <i>29</i>(46), Article 465901. <a href=\"https://doi.org/10.1088/1361-648x/aa8f79\">https://doi.org/10.1088/1361-648x/aa8f79</a>","ieee":"P. Giannozzi <i>et al.</i>, “Advanced capabilities for materials modelling with Quantum ESPRESSO,” <i>Journal of Physics: Condensed Matter</i>, vol. 29, no. 46, Art. no. 465901, 2017, doi: <a href=\"https://doi.org/10.1088/1361-648x/aa8f79\">10.1088/1361-648x/aa8f79</a>.","mla":"Giannozzi, P., et al. “Advanced Capabilities for Materials Modelling with Quantum ESPRESSO.” <i>Journal of Physics: Condensed Matter</i>, vol. 29, no. 46, 465901, 2017, doi:<a href=\"https://doi.org/10.1088/1361-648x/aa8f79\">10.1088/1361-648x/aa8f79</a>.","bibtex":"@article{Giannozzi_Andreussi_Brumme_Bunau_Buongiorno Nardelli_Calandra_Car_Cavazzoni_Ceresoli_Cococcioni_et al._2017, title={Advanced capabilities for materials modelling with Quantum ESPRESSO}, volume={29}, DOI={<a href=\"https://doi.org/10.1088/1361-648x/aa8f79\">10.1088/1361-648x/aa8f79</a>}, number={46465901}, journal={Journal of Physics: Condensed Matter}, author={Giannozzi, P and Andreussi, O and Brumme, T and Bunau, O and Buongiorno Nardelli, M and Calandra, M and Car, R and Cavazzoni, C and Ceresoli, D and Cococcioni, M and et al.}, year={2017} }"},"_id":"13803","year":"2017"}