Search Results for "k-phon"
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Showing 6 open source projects for "k-phon"
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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-dynamics analysis...
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ransfoil
console to calculate airflow around an airfoil based on RANS approach
RANSFOIL is a console program to calculate airflow field around an isolated airfoil in low-speed, subsonic, transonic or supersonic regime by numerically solving the Reynolds averaged Navier-Stokes (RANS) equations using mature computational fluid dynamics (CFD) method. As postprocess results, the aerodynamic parameters of the airfoil, e.g., lift coefficient and drag coefficient, can be integrated from the airflow distribution near wall boundary. In addition, the coupling between airflow and... -
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RMGDFT
Real Space Multigrid based electronic structure code.
News: active RMG development has moved to github https://github.com/RMGDFT News: V4.1.0 released on 09/29/2020 News: V4.0.0 released on 09/01/2020 with major updates. News: V3.0.0 released on 06/09/2018 with major updates. News: V2.2.2 released on 10/14/2017 with minor bug fixes. News: V2.2 with performance enhancements, bug fixes and new features released on 06/26/2017. Sources are available with binaries to follow soon. News: V2.1 with many improvements released on 07/15/2016.... -
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A complete compiler toolchain that will cross-compile ANSI C, K&R C, Pascal, Modula-2, Occam, Fortran and Basic for a number of architecture including, but not limited to, the 6500, 68000, Z80, i80, i86, i386 and PDP-11.
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Starch CLD fit
Least-squares fit of amylopectin chain-length distribution
This FORTRAN program package finds the parameters involved in amylopectin chain-length distribution (CLD) biosynthesis by fitting experimental CLD data to a model which incorporates the underlying starch biosynthesis. The amylopectin CLD biosynthesis model used by this program is explained in the article “A Parameterized Model of Amylopectin Synthesis provides key insights into the Synthesis of Granular Starch”, by Alex Chi Wu, Matthew K. Morell and Robert G. Gilbert. The downloadable .zip... -
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caffa-sst
Enhanced version of CAFFA CFD code.
CAFFA (abbreviation for Computer Aideed Fluid-Flow Analysis) is a well-known CFD code that followed Ferziger&Peric book on Computational Fluid Dynamics. Menter's k-omega SST (short for Shear Stress Transport) model is probably the dearest turbulence model in aerodynamics community. It is a blend of k-omega and k-epsilon model. It's popularity is not diminishing since it's being used in new RANS/LES hybrid models like DES (Detached Eddy Simulation) too. My wish was to made available to wider...
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