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Contents
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- 1
- S.J. Clark, M.D. Segall, C.J. Pickard, P.J. Hasnip,
M.J. Probert, K. Refson and M.C. Payne, ``First
principles methods using CASTEP'', Zeit. für Kryst. 220(5-6) (2004) 567-570
- 2
- P.J. Hasnip and C.J. Pickard, ``Electronic
energy minimisation with ultrasoft pseudopotentials''.
Comp. Phys. Comm. 174 (2006) 24-29
- 3
- P. Pulay, ``Convergence acceleration of
iterative sequences. The case of SCF iteration''.
Chem. Phys. Lett. 73 (1980) 393-398
Sarfraz A Nadeem
2008-09-01