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Manuscript Title: Numerical solution of the radial Schrodinger equation. | ||

Authors: F. Beleznay | ||

Program title: SCHROD | ||

Catalogue identifier: ACQZ_v1_0Distribution format: gz | ||

Journal reference: Comput. Phys. Commun. 3(1972)334 | ||

Programming language: Fortran. | ||

Computer: CDC 3300. | ||

Operating system: MASTER. | ||

RAM: 10K words | ||

Word size: 24 | ||

Keywords: Nuclear physics, General purpose, Schrodinger equation, Differential equation, Potential, Scattering, Band structure, Runge-kutta method, Theoretical methods, Muffin-tin. | ||

Classification: 4.3, 17.16. | ||

Nature of problem:The subroutine SCHR solves the radial Schrodinger equation using a logarithmic mesh without transforming the independent variable. It is applicable in problems where a smooth expansion of the scale near the origin is advantageous. | ||

Solution method:Given the potential, the starting and the final value of the independent variable and the number of mesh points, the program calculates a suitable logarithmic mesh and integrates the radial Schrodinger equation using a special Runge-Kutta method. It is written as a subroutine with emphasis on its applicability in "muffin-tin" type band structure calculations. | ||

Restrictions:For a given energy the subroutine solves the Schrodinger equation for the angular momentum values lmin <=l <= lmax. | ||

Running time:Compile time is a few s, the execution time depends on the number of mesh used-roughly (number of mesh points) X (25 multiplication/division times + 15 addition times) X (number of different l values). |

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