Self-Consistent Field Theory

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This chapter provides more detailed information about how to use any of the PSCF programs to perform SCFT calculations and SCFT parameter sweeps. The following chapter provides analogous information about PS-FTS calculations.

Contents:

1. Self-Consistent Field Theory
2. Parameter Files
   
   • Parameter Sweeps
   • Parameter File - pscf_1d
   • Parameter File - pscf_pc
   • Parameter File - pscf_pg
3. Field Files
   
   • 1D Fields (pscf_1d)
   • Periodic Fields (pscf_pc and pscf_pg)
     • Basis Format
     • R-Grid Format
     • K-Grid Format
4. Command Files
   
   • Commands - pscf_1d
   • Commands - pscf_pc
   • Commands - pscf_pg
5. Thermodynamic Properties
6. Crystal Unit Cells
7. Space Groups
8. Environments – Confinement and External Fields
9. Thin-Film Confinement
10. Visualization
11. Python Tools
12. Appendix: Modified Diffusion Equations
13. Appendix: Periodic Functions and Fourier Series
14. Appendix: Space Group Symmetry
15. Appendix: Symmetry-Adapted Bases

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