[Wien] Negative fermi energy

[yanming Ma]

Dear Kevin,Stefaan, and Peter,
 
Thanks very much for your excellent comments. Due to the small RMT for H and O, the interstitial region is around 90 percentage of the unit cell in my case. I think this cause the negative fermi energy as Stefaan stated. To avoid the warning of this reduced RKMax, I can simply increase the NMATMAX. 
 
Thanks again.
 
Cheers 


Yanming Ma Ph.D
Steacie Institute for Molecular Sciences,
National Research Councils of Canada,
Ottawa, Ontario
K1A 0R6
Canada

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