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TETRA (density of states)
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Detailed description of the
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Input
Programs for analysis, calculation of properties, and geometry optimization
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TETRA (density of states)
Execution
Dimensioning parameters
Input
SPAGHETTI (energy bandstructure plots)
Execution
Dimensioning parameters
Input
LAPW3 (X-ray structure factors)
Execution
Dimensioning parameters
LAPW5 (electron density plots)
Execution
Dimensioning parameters
Input
XSPEC (calculation of X-ray Spectra)
Execution
Execution of the shell script xspec
Sequential execution of the programs
Dimensioning parameters
Input
Input for Emission Spectra:
Input for Absorption Spectra:
ELNES (calculation of energy loss near edge structure)
Execution
Execution of the shell script elnes
Sequential execution of the programs
Dimensioning parameters
Input
OPTIMIZE (Volume and c/a Optimization)
Execution
Input
MINI (Geometry minimization)
Execution
Dimensioning parameters
Input
Input for Molecular dynamics:
Input for geometry optimization:
AVERX (average of operator X)
Execution
Dimensioning parameters
Input
OPTIC (calculating optical properties)
Execution
Dimensioning parameters
Input
JOINT (Joint Density of States)
Execution
Dimensioning parameters
Input
KRAM (Kramers-Kronig transformation)
Execution
Dimensioning parameters
Input
2000-04-11