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[Masayoshi Mikami <masayoshi.mikami@gmail.com>]

Dear Anil,

I just thought that your pseudos (Na and Ca) are inconsistent, lmax = 2 for Ca
and lmax = 1 for Na, respectively. 

From the log attached in the e-mail (<-- Thanks !):
---------
 iofn2 : Please give name of formatted atomic psp file
 iofn2 : for atom type   1 , psp file is ../pseudo/8o.phoney_mod
  read the values zionpsp=  6.0 , pspcod=   5 , lmax=   1

 iofn2 : Please give name of formatted atomic psp file
 iofn2 : for atom type   2 , psp file is ../pseudo/ca.fhi
  read the values zionpsp= 10.0 , pspcod=   6 , lmax=   2

 iofn2 : Please give name of formatted atomic psp file
 iofn2 : for atom type   3 , psp file is ../pseudo/na.pot
  read the values zionpsp=  9.0 , pspcod=   6 , lmax=   1

 iofn2 : Please give name of formatted atomic psp file
 iofn2 : for atom type   4 , psp file is ../pseudo/nb.fhi
  read the values zionpsp= 13.0 , pspcod=   6 , lmax=   2

 iofn2 : Please give name of formatted atomic psp file
 iofn2 : for atom type   5 , psp file is ../pseudo/22ti.psp_mod
  read the values zionpsp= 12.0 , pspcod=   4 , lmax=   2
---------

Still, I am not sure that the heterovalent alchemical treatment will work for
this case. (the ionic sizes are different...) But you may give it a try.

Regards,
Masayoshi