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Index
- Alpha_Filter
- Parameters specific to each
- Atom_Coord
- Parameters specific to each
- Atom_Type
- Parameters specific to each
- Atom_Types_Num
- Global atom and pseudopotential
- Beta1_Filter
- Parameters specific to each
- BFGS_Number_Corr
- Structural relaxation
- Boundary_Sphere_Radius
- The real-space grid
- Cell_Shape
- The real-space grid
- Convergence_Criterion
- Self-consistency and mixing parameters
- Cooling_Method
- Molecular dynamics
- Coordinate_Unit
- Global atom and pseudopotential
- Core_Cutoff_Radius
- Parameters specific to each
- Core_Filter
- Parameters specific to each
- Correlation_Type
- Electronic parameters
- Diag_Tolerance
- Diagonalization parameters
- Eigensolver
- Diagonalization parameters
- Electric_Field
- Polarizability
- Electron_Per_Orbital
- Parameters specific to each
- Expansion_Order
- The real-space grid
- Fermi_Temp
- Electronic parameters
- Force_Min
- Structural relaxation
- Friction_Coefficient
- Molecular dynamics
- Grid_Spacing
- The real-space grid
- Initial_Diag_Tolerance
- Diagonalization parameters
- Ion_Energy_Diff
- Electronic parameters
- Lattice_Vector_Scale
- The real-space grid
- Local_Component
- Parameters specific to each
- Max_Iter
- Self-consistency and mixing parameters
- Max_Step
- Structural relaxation
- Memory_Param
- Self-consistency and mixing parameters
- Min_Step
- Structural relaxation
- Minimization
- Structural relaxation
- Mixing_Param
- Self-consistency and mixing parameters
- Mixing_Method
- Self-consistency and mixing parameters
- Molecular_Dynamics
- Molecular dynamics
- Move_Flag
- Parameters specific to each
- Movement_Num
- Structural relaxation
- Net_Charges
- Electronic parameters
- Old_Interpolation_Format
- Global atom and pseudopotential
- Old_Pseudopotential_Format
- Global atom and pseudopotential
- Olddat_Style
- The real-space grid
- Output_All_States
- Flags for additional input/output
- Output_Eigenvalues
- Flags for additional input/output
- Output_Level
- Flags for additional input/output
- Periodic_System
- The real-space grid
- Polarizability
- Polarizability
- Potential_Num
- Parameters specific to each
- Relax_Restart
- Structural relaxation
- Restart_mode
- Molecular dynamics
- Restart_Run
- Electronic parameters
- Save_Intermediate_Charge_Density
- Flags for additional input/output
- Save_Intermediate_Eigenvalues
- Flags for additional input/output
- Skip_force
- Flags for additional input/output
- Spin_Polarization:
- Electronic parameters
- States_Num
- Electronic parameters
- Step_num
- Molecular dynamics
- Subspace_Buffer_Size
- Diagonalization parameters
- T_final
- Molecular dynamics
- T_Step
- Molecular dynamics
- Time_Step
- Molecular dynamics
- Tinit
- Molecular dynamics
Murilo Tiago 2005-10-06