[SIESTA-L] Problem with Minimum split_norm parameter

Mon, 20 Jun 2011 16:02:51 -0700 

Hello SIESTA users,

I perform the band structure calculation of a system which contains 3 types
of atoms: carbon, hydrogen and sodium.
For all of them I use the standard DZP basis set. To my surprise, at the
stage of SANKEY-TYPE ORBITALS analysis for the sodium atom, the calculations
were interrupted at the very beginning  with the message:

atom: SANKEY-TYPE ORBITALS:
atom: Selected multiple-zeta basis: split

SPLIT: Orbitals with angular momentum L= 0

SPLIT: Basis orbitals for state 3s

SPLIT: PAO cut-off radius determined from an
SPLIT: energy shift=  0.020000 Ry

   izeta = 1
                 lambda =    1.000000
                     rc =    7.981102
                 energy =   -0.187542
                kinetic =    0.187965
    potential(screened) =   -0.375508
       potential(ionic) =   -0.560799
WARNING: Minimum split_norm parameter:  0.16092. Will not be able to
generate orbital with split_norm =  0.15000
See manual for new split options
ERROR STOP from Node:    0

Does anybody know what it means and how to overcome this problem?
For the .fdf file, please, see the attachment.


Best regards,

Artem Baskin

Attachment: zntp8Nai.fdf
Description: application/vnd.fdf

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