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User's manual of ADPACK
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User's manual of ADPACK
Contents
About ADPACK
Installation
Test calculation
Input file
All electron calculation
Making of pseudopotential
Example
Cutoff radius
Pseudopotentials for unbound states
Separable form
Logarithmic derivative of wave function
Ghost states
Partial core correction
Restart
Relativistic calculation
All electron calculation
Enhancement or depletion of a spin-orbit coupling
Making of pseudo-atomic orbitals
Virtual atom with fractional nuclear charge
Output files
Templates of the input files
Others
Bibliography
2008-06-20