This thread is locked.Only browsing is available.
Top Page > Browsing
found an overcomplete basis set
Date: 2017/01/10 12:06
Name: John Sham   <slyhb2126@163.com>

Dear all

I just tried to perform berry-phase calculation towards NaCl system according to the mannual.

The initial SCF step is normally finished, but unfortunately when I use "polB" and file"

nacl.scfout"to calculate the polarization of the system, it failed and comes to an end like

"found an overcomplete basis set".

Would you please help me?

Many Thanks!

Sham
e
Page: [1]