The DDE file contains information about the logarithmic derivatives of the AE (i.e. exact) wavefunctions

and the pseudowavefunctions. The DDE file is written by the fourpot3 program. The first line contains a comment, the second line the number of energies for which the logarithmic derivatives were calculated. After the line

Core Pot L = .00000 -.34032data pairs follow. The first control line ("Core Pot ...") contains the l-quantum number and the reference energy in Rydberg. The first value of each data pair, following the control line, supplies the energy, the second value the logarithmic derivative of the AE l-wavefunction. Information about the non-separable pseudopotential follows after the line

Potential L = .00000 -.34032information about the factorized Kleinman-Bylander or ultrasoft pseudopotential is printed after the lines

KBPotential L = 4.00000 .00000A program for plotting the data points exists. This program is called

drawddeand requires erlgraph.

Mon Mar 29 10:38:29 MEST 1999