Maniopoulou, A and Davidson, ERM and Grau-Crespo, R and Walsh, A and Bush, IJ and Catlow, CRA and Woodley, SM (2012) Introducing k-point parallelism into VASP. COMPUTER PHYSICS COMMUNICATIONS , 183 (8) 1696 - 1701. 10.1016/j.cpc.2012.03.009.
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| Type: | Article |
|---|---|
| Title: | Introducing k-point parallelism into VASP |
| DOI: | 10.1016/j.cpc.2012.03.009 |
| Keywords: | Parallelization, k-Points, Plane waves, DFT, Methods of electronic structure calculations |
| UCL classification: | UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry |
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