[Pw_forum] hybrid functional error

[Yunpeng Wang]

Hi,

I am using HSE06 hybrid functional to calculate binding energy of an atom to a molecule, because GGA gives non-consistent result compared to experimental results. The HSE06 run ends with following error after several EXX steps:

----------------------------------------------------
task #        53
from expint : error #         1
bad arguments
-----------------------------------------------------

Where is the problem?

best,
Yun-Peng
 		 	   		  
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