[Pw_forum] Error:too many bands are not converged

idoldog 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.

all best
 				
--------------
李飞

 

========================

南开大学化学学院

天津市南开区卫津路94号

Email:lifei.chn at mail.nankai.edu.cn

QQ:155192560

MSN:lifei.chn at hotmail.com

=======================
2009-03-17


More information about the users mailing list