<div dir="ltr"><div><div><div><div><div><div><div>Dear Kim Kyoo,<br><br></div>I also tried with the command : x qtl -up -band -p<br><br></div>And after that when I ran command : x spaghetti -up -p<br> <br></div>It is still showing the same error. (inconsistent qtl-file)<br>
<br></div>Here is the case.qtl snap.<br><br>SYIO s-o calc. M|| 0.00 0.00 1.00<br><br> LATTICE CONST.= 10.9134 10.9451 15.4398 FERMI ENERGY= 0.54426<br> 2578 < NMAT < 2635 SPIN=2 NAT= 6 SO 0 KLmax 11<br>
JATOM 1 MULT= 4 ISPLIT= 2 tot,s,p,px,py,pz,d,dz2,d(x2-y2),dxy,dxz,dyz, <br> JATOM 2 MULT= 2 ISPLIT=-1 tot,d,d3/2(-3/2),,,d3/2(3/2),(d5/2)(-5/2),,,,,d5/2(5/2), <br>
JATOM 3 MULT= 2 ISPLIT=-1 tot,d,d3/2(-3/2),,,d3/2(3/2),(d5/2)(-5/2),,,,,d5/2(5/2), <br> JATOM 4 MULT= 4 ISPLIT= 2 tot,s,p,px,py,pz, <br>
JATOM 5 MULT= 4 ISPLIT= 2 tot,s,p,px,py,pz, <br> JATOM 6 MULT= 4 ISPLIT= 2 tot,s,p,px,py,pz,<br><br></div>Can any one tell me please if I am missing something.<br>
<br></div>Thanks.<br><br></div>Santu Baidya<br><div><div><br><div><div><div><br></div></div></div></div></div><br><br></div>