Order-N Electronic Total Energy Package
Technology No. Pay-1144-04 - ONETEP
ONETEP (Order-N Electronic Total Energy Package) is a linear-scaling code for quantum-mechanical calculations based on density-functional theory.

Licensing Options:

ONETEP is available on an academic licence to users with a permanent or tenured position at an academic institution. 

This licence allows the licensee and members of their research group at the same institution to use ONETEP for research only. 

Please fully read and understand the terms of licence as it restricts who can use the software, what it can be used for, and will terminate when the licensee leaves their institution. 

For more information please visit the ONETEP Website

For any license that does not fulfil the above criteria please contact BIOVIA.

  • swap_vertical_circlelibrary_booksReferences (1)
    1. Prentice JCA, Aarons J, Womack JC, Allen AEA, Andrinopoulos L, Anton L, Bell RA, Bhandari A, Bramley GA, Charlton RJ, Clements RJ, Cole DJ, Constantinescu G, Corsetti F, Dubois SMM, Duff KKB, Escartín JM, Greco A, Hill Q, Lee LP, Linscott E, O'Regan DD, Phipps MJS, Ratcliff LE, Serrano AR, Tait EW, Teobaldi G, Vitale V, Yeung N, Zuehlsdorff TJ, Dziedzic J, Haynes PD, Hine NDM, Mostofi AA, Payne MC, Skylaris CK (06/05/2020), The ONETEP linear-scaling density functional theory program, The Journal of Chemical Physics, 152, 174111
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Academic Licence

Term: perpetual

Price per licence:
£0.00 excl. VAT

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