[QE-users] convergece error with Environ

[Leo Yang]

Dear QE users,


I try to apply solvent effect (water) to my calculation by using Environ. It goes crash as 


"from c_bands : error #         1

 too many bands are not converged"


which isn't encountered before installing Environ. I have tried to increase ecutwfc and change conv_thr from 1.D-6 to 1.D-4 simultaneously, but it didn't work. It will be very appreciated if you can solve my problem.


Best,
Yang


Yang Zhou
University of Leeds
UK 
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