[Ape-users] reproducing pseudopotentials from octopus generator

[Robertson Burgess]

Dear APE users,

I've been using pseudopotentials generated by the octopus web generator previously. So i've been attempting to reproduce the same pseudopotentials for gold using APE. I was wondering what the values in the 4th line of the .psf file represent?

In my Octopus generated pseudopotential the top of the file reads:

 Au ca rel nc  
 ATM3       9-JUN-05 Troullier-Martins                       
 6s 1.00r r= 2.24/6p 0.00r r= 2.24/5d10.00r r= 2.32/5f 0.00r r= 1.48/  
   4  3 1212  0.313766098312E-04  0.125000000000E-01   11.0000000000    
 Radial grid follows
 
and for my APE generated pseudopotential:

 Au ca rel nc  
 APE Version-1.1.1   2011/11/16                              
 6s 1.00  r= 2.24/6p 0.00  r= 2.24/5d10.00  r= 2.32/5f 0.00  r= 1.48/  
   4  3 1212        0.0000069143        0.0143592262       11.0000000000
 Radial grid follows

I'm getting a significant difference in my results between the two calculations, and so I'm trying to figure out what the difference is between the pseudopotentials so I can understand it.

Thanks,
Bob Burgess