[Pw_forum] Mulliken population

KS Yang yupiaofei at mail.sdu.edu.cn
Tue Jan 15 12:08:51 CET 2008

Hi, everyone

It is very easy to obtain the Mulliken population of the atom in the output file using CASTEP or VASP code.

I am sorry but i cann't find it in the output file of PWSCF code. Somebody can tell me where can i find it?

Does the "effective charges" mentioned in the users-guide mean the Mulliken population?

Best wishes.

Kesong Yang

School of Physics and Microelectronics

Shandong University, Jinan 250100, People’s Republic of China

Email: ksyang at mail.sdu.edu.cn;
       yupiaofei at mail.sdu.edu.cn
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20080115/d81b3a34/attachment.html>

More information about the users mailing list