[Pw_forum] hybrid functional error

[Peter Wang]

Hi PG:

I am using QE version 4.3.2 and my system is spin-polarized.

Yun-Peng

-----原始邮件----- 
From: Paolo Giannozzi
Sent: Saturday, December 17, 2011 7:42 PM
To: PWSCF Forum
Subject: Re: [Pw_forum] hybrid functional error


On Dec 17, 2011, at 12:40 , Paolo Giannozzi wrote:

> Please specify which version of QE you are using: there have been
> several minor changes to the HSE routines since the first release.

and also please specify if your calculation is spin-polarized or not.

P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222




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