[Pw_forum] Error:too many bands are not converged
idoldog at gmail.com
Tue Mar 17 15:46:09 CET 2009
Dear PWSCF users,
I have done some structure optimization calculations using ecutwfc=25, ecutrho=200 and mixing_ndim = 16 successfully. But when I increase the parameters ecutwfc=30 and ecut=240 and mixing_ndim=8, I got a lot of "c_bands: 10 eigenvalues not converged" warnings, even "too many bands are not converged" errors.
I searched the old pw_forum articles and find little things about this.
so I want to know the change of which parameters lead to this problem?
hoping your kindly reply.
Email:lifei.chn at mail.nankai.edu.cn
MSN:lifei.chn at hotmail.com
More information about the users