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  2. 4. Tests of the algorithm

    www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper5/node4.html
    11 Jul 2000: 4. Tests of the algorithm. In this section, we present the results obtained from the calculations based on the block update procedure. ... Test cases are taken from the molecular chlorine and bulk crystalline silicon systems.

  3. 3. The iterative method

    www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper5/node3.html
    11 Jul 2000: Next: 4. Tests of the Up: Preconditioned conjugate gradient method Previous: 2.

  4. 1. Introduction

    www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper5/node1.html
    11 Jul 2000: To test the method we use a localized spherical-wave basis set introduced in another Communication [15] to perform first-principles calculations. ... Test cases are taken from the molecular chlorine and bulk silicon systems.

  5. 5. Conclusions

    www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper5/node5.html
    11 Jul 2000: Next: Acknowledgements Up: Preconditioned conjugate gradient method Previous: 4. Tests of the..

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