Search Results for "wave equation"

Basic features: 1. Generate KPOINTS, POTCAR and INCAR for a given POSCAR file; 2. Elastic-constants using stress-strain or energy-strain methods; 3. Equation-of-state fitting; 4. Suggested k-paths for a given crystal structure; 5. Optical adsorption coefficient; 6. Band structure unfolding; 7. Fermi surface; 8. Density-of-states and band-structure; 9. Charge/spin density, Charge density difference; 10. Vacuum level and work function; 11. Wave-function analysis; 12. Molecular...

Cliff* Notes, Mathematica Evaluatable "Partial Differential Equations for Scientists and Engineers", Farlow "Physics for Scientists and Engineers", Serway "A First Course in Complex Analysis", Beck "PDE", Asmar "PDE, An Introduction", Colton "Elementary Differential Equations", 7th, Rainville "Ordinary Differential Equations", Tenenbaum "Linear Algebra And It's Applications", Lay "Swokowski Calculus", 5th, Swokowski "Chemistry Concepts & Problems, A Self-Teaching Guide",...

A computer code for simulation of electron-hydrogen scattering. Contains three (more or less) finished sub-programs: (a) “hex-ecs” which solves the Schrödinger equation in the B-spline basis, (b) “hex-dwba” which computes scattering variables for high energies using the distorted wave Born approximation of the first order and finally (c) “hex-db” which is a user interface to a plain SQLite database, where the intermediate results are being stored, and which is used to extract derived...

"chinese remainder" solves a system of equations over modulus quickly. crtwo is an improvement to Mathematica's release. crtwo: solves Chinese Remainder a pair at a time, (uses gcd), yet is still fast. Which means crtwo, unlike text book soln, uses an algorithm to solve or fail one mod equation at a time. showing win or fail of each eqn and solving other sawtooth intersections is possible, due to that. crAll2@crtwo provides n soln near x for CR using width of soln crchart3...

A program to solve dispersion equation in water waves mechanics using iterated and graphical methods.

This code simulates the 1D coupled transport in nanoscale materials. Both the electrical and thermal transport are simulated using a Non-equilibrium Green's function (NEGF) to solve the wave equation. The models handle the electron-phonon, electron-electron, and phonon-phonon interactions. The electrical model is a 1D effective mass description and the thermal model is a 1D atomistic description. This code was specifically designed to investigate nanoscale thermoelectrics. More specifically...

Library to evaluate periodic Green's functions or Green's functions for wave guides for the Helmholtz equation using Ewald's method.

A Fast MAC based 3D Free surface fuid solver. Capable also of simulating viscoelastic fluids.Includes also wave equation solver for simulating shallow water phenomena.