Transcription of k Scienti c Highlight Of The Month
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k Scienti c Highlight Of The Month
K Scientific Highlight Of The Month No. 137 September 2017. Advanced capabilities for materials modelling with QUANTUM ESPRESSO. P. Giannozzia, , O. Andreussib,i , T. Brummec , O. Bunaud , M. Buongiorna Nardellie , M. Calandrad , R. Carf , C. Cavazzonig , D. Ceresolih , M. Cococcionii , N. Colonnai , I. Carnimeoa , A. Dal Corsoj , S. de Gironcolij , P. Delugasj , R. A. DiStasio , A. Ferrettil , A. Florism , G. Fratesin , G. Fugalloo , R. Gebauerp , U. Gerstmannq , F. Giustinor , T. Gornij , J. Jiak , M. Kawamuras , H. -Y. Kof , A. Kokaljt , E. K kbenlij , M. Lazzerid , M. Marsiliu , N. Marzarii , F. uc u Mauriv , N. L. Nguyenj , H. -V. Nguyenw , A. Otero-de-la-Rozax , L.
k Scienti c Highlight Of The Month No. 137 September 2017 ... Several new packages, implementing the calculation of new properties, have been added to Quantum ESPRESSO. We quote in particular: turboTDDFT [23{26] and turboEELS [27, 28], for excited-state calculations within time- ... thermo pw, for computing thermodynamical properties in the ...
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