[Wien] Fatband calculation using relativistic basis

[Santu Baidya]

Dear Kim Kyoo,

I also tried with the command :    x qtl -up -band -p

And after that when I ran command :   x spaghetti -up -p

It is still showing the same error. (inconsistent qtl-file)

Here is the case.qtl snap.

SYIO                                     s-o calc. M||  0.00  0.00  1.00

 LATTICE CONST.= 10.9134 10.9451 15.4398   FERMI ENERGY=   0.54426
 2578 < NMAT < 2635   SPIN=2   NAT=  6      SO 0 KLmax 11
 JATOM  1  MULT= 4  ISPLIT= 2
tot,s,p,px,py,pz,d,dz2,d(x2-y2),dxy,dxz,dyz,

 JATOM  2  MULT= 2  ISPLIT=-1
tot,d,d3/2(-3/2),,,d3/2(3/2),(d5/2)(-5/2),,,,,d5/2(5/2),

 JATOM  3  MULT= 2  ISPLIT=-1
tot,d,d3/2(-3/2),,,d3/2(3/2),(d5/2)(-5/2),,,,,d5/2(5/2),

 JATOM  4  MULT= 4  ISPLIT= 2
tot,s,p,px,py,pz,

 JATOM  5  MULT= 4  ISPLIT= 2
tot,s,p,px,py,pz,

 JATOM  6  MULT= 4  ISPLIT= 2  tot,s,p,px,py,pz,

Can any one tell me please if I am missing something.

Thanks.

Santu Baidya



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