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README_Change
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MST2.3
==================================================================
Description:
This version implements parallel FFT using P3DFFT package in the
solution of electrostatic potential.
==================================================================
Major changes include modifying/adding the following files
src/PotentialGenerationModule.F90
src/constructDataOnGrid.F90
src/ParallelFFTModule.F90
src/Uniform3DGridModule.F90
-------------------------------------------------------------------
MST2.2
version: 1.0: April 2017 by Xianglin Liu
==================================================================
Description:
This new version includes implementation of the sine and cosine
formalism of the relativistic KKR method
(In this version the magnetic part and CPA part haven't been fully
implemented)
===================================================================
The following files are changed to enable the Dirac solver:
src/Makefile
src/AdaptIntegrationModule.F90
src/CrystalMatrixModule.F90
src/GFMethodModule.F90
src/PhysParamModule.F90
src/convertGijToRel.F90 !NOTE that the previous one by Yang has been replaced
-------------------------------------------------------------------
The following files are added to enable Dirac solver:
RelSSSolverModule.F90
RelMSSolverModule.F90
-------------------------------------------------------------------
The following files are MT-relativistic KKR based on Markus Eisenbach's code.
It is not used in the current version.
src/RelScattererModule.F90
src/RelGreenFunctionModule.F90
src/DiracSolverModule
-------------------------------------------------------------------