Density of state of SnO2 co-doped

Posted on : March 05, 2022 (Sat) 19:30:03

by Mariem

Dear AkaiKKR team;

Thank you to allow us using AkaiKKR calculation code.
My question is: While I am ploting the DOS of SnO2 co-doped with two transitions elements, I found the negative and higher valeur on the result -266,54611000, as showing in the exemple below

-0,1125 1,70798000 0,79780000
-0,0975 0,47840000 0,39278000
-0,0825 0,29901000 0,25931000
-0,0675 0,22394000 0,19229000
-0,0525 0,19494000 0,15249000
-0,0375 0,26234000 0,12657000
-0,0225 3,73989000 0,10874000
-0,0075 4,42107000 0,09609000
0,0075 2,58212000 0,08705000
0,0225 0,17433000 0,08075000
0,0375 0,10116000 0,07678000
0,0525 0,08300000 0,07515000
0,0675 0,07523000 0,07670000
0,0825 0,11064000 -266,54611000
0,0975 0,14019000 0,16619000
0,1125 0,32798000 0,39077000

I found the same value in the specific impurties quantity of transition elements.

I would lik to understand the interpretation of this value.

Best regards
Mariem