The ABINIT Users Mailing List ( CLOSED )

[dylu@ucdavis.edu]

Hello, Abinit users:
       I have a question regarding the pseudopotential file conversion. The 
pseudopotential files were originally generated in GP 
(http://eslab.ucdavis.edu/). The format of the file is quite simple: the 
pseudopotential (in unit of Ha) and wavefunction (more precisely, psi/r) data 
of each orbital are stored on a linear grid. The conversion to FHI format 
seems to be straightforward, however the FHI grid is not linear, i.e.,  
r_i/r_{i-1)=const. related to a quantity "amesh" instead of r_i-r_{i-1}=const.
       I'm hoping that abinit does the numeric interal based on the real 
value of the mesh instead of using the single variable "amesh", but not 
certain after briefly browsing the source code. If this is the case, I can 
set "amesh" to an arbitrary number and let the code figure the rest out. 
Otherwise, shall I convert it to a format other than FHI?

       Thanks
       Deyu