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11 Jul 2000: Next: 4. Tests of the Up: Preconditioned conjugate gradient method Previous: 2.

25 Feb 2005: We outline the theory on which our method is based and present test calculations on a variety of systems.

31 Oct 2002: We have written a new code to implement and test this approach. ... Our test calculations on a variety of systems confirm that such a linear-scaling method should be directly comparable to traditional plane-waves.

25 Oct 2002: This scheme has been implemented and applied to the test case of 216 atoms of crystalline silicon.

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.

3 Jun 2020: fix lorentz broadening and write out broadened agr. test logicals correctly.

Report on the sixth blind test of organic crystal structure prediction methods.

18 Oct 2005: Fundamentals of Special Relativity: Experimental basis and tests of SR, Lorentz transformations, elementary consequences, Doppler effect, aberration and visual appearance of objects.

31 Oct 2002: Next: Tests and discussion Up: Theory Previous: Finite Differences.

6 Apr 2022: Test this new technology by exploring the blackboard below, where several TCM members have left their favourite equations.

30 Mar 2021: Report on the sixth blind test of organic crystal structure prediction methods. ... Towards crystal structure prediction of complex organic compounds - a report on the fifth blind test.

10 Feb 2004: 16]. In all test cases we use norm-conserving pseudopotentials in Kleinman-Bylander [38] form, the local-density approximation [for the exchange and correlation term, and the.

11 Jul 2000: Next: Acknowledgements Up: Preconditioned conjugate gradient method Previous: 4. Tests of the..

29 Oct 2002: Figure 4 shows the quantity. , defined as. (46). for the molecules silane (. ) and cyclohexane (. ), for different FFT box sizes. For these tests we used a cubic simulation cell of side length. ,

14 Aug 2006: Results of tests on different materials show that ONETEP is an efficient parallel code that should be able to take advantage of a wide range of parallel computer architectures.

3 Sep 1996: ESP effects than those studies using unselected subjects (a t test with 246 degrees of freedom [df] giving t = 3.16, p = 0.001).

31 Oct 2002: Section 4 contains the results of calculations on different test systems, which are compared with those obtained using the same theory level and approximations, but with a plane-wave basis

31 Oct 2002: In section 5 we present tests on a variety of systems showing the accuracy and efficiency of this method and finally we conclude and mention what we see as future developments.

25 May 2007: Sue MacGregor: James Randi. Well, earlier I spoke to Professor Josephson himself, also to Professor Nicholas Humphrey of the London School of Economics, and I asked Professor Josephson first if, as

2 Jun 2015: M. LYNDEN-BELL and M. W. FINNIS "Ab initio Atomistic Simulation of the Strength of Defective Aluminium and Tests of Empirical Force Models" Phys.