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 
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users

Reply via email to