Hands-on session. Pseudopotentials

Updated September 2014

1. The default basis set
   PowerPoint Version     pdf Version     Pseudos, input, and README
   
   
2. Convergence of the basis set with size
   PowerPoint Version     pdf Version     Pseudos, input, and README
   
   
3. Control of the range of the first-zeta: the energy-shift
   PowerPoint Version     pdf Version     Pseudos, input, and README
   
   
4. Control of the range of the second-zeta: the split norm
   PowerPoint Version     pdf Version     Pseudos, input, and README
   
   
5. Increasing the angular flexibility: polarization orbitals
   PowerPoint Version     pdf Version     Pseudos, input, and README
   
   
6. Full control to define the basis set functions: the PAO.Basis block
   PowerPoint Version     pdf Version
   
   
7. How to optimize variationally the variables that define the basis set
   PowerPoint Version     pdf Version     Pseudos, input, and README
   
   
8. How to plot the radial part of the atomic orbitals
   PowerPoint Version     pdf Version