[Pw_forum] Can xpectra.x calculate XAS for metal?

[程迎春]

Dear all,
I have installed QE5.0 with xpectra installed.
I just tested the diamond example and it runs through.
In this example, the diamond is treated as insulator.(Of course!)
In the second step, xspectra.x can get the Fermi level of 0.94038144
Ry (12.8 eV).
If I set the system as metal with occupation "smearing", the
xspectra.x will complained when I try to get the Fermi level.
The error message is as below:
 Metallic case


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from input : error #         1
     Read fermi level from scf/nscf output
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

But the Fermi level printed in the scf output file is 15.88 eV.
My first question is why the two fermi level value are different so much.
Second question is whether xspectra.x can calculate the XAS for metalic system?
Thank you in advance.
Best,
-- 
Y. C. Cheng
Department of Physics
Nanjing University
Nanjing 210093
P. R. China
Tel: 86-25-83592907
Email: yccheng.nju at gmail.com