[CPMD-list] FAILED TO CONVERGE WHEN DIAGONALIZING A with Ta pseudopotential created with fhi98PP

[Audrius Alkauskas]

Hello

I guess, KLEINMAN-BYLANDER form should be used. I think, Ari Seitsonen 
has written a script psgen to convert fhi98PP output to CPMD form.

Audrius Alkauskas