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[abinit-forum] {Spam?} Can we calculate phonon spectrum using PAW or PAW+U?

From: yx_pxmu <yx_pxmu@163.com>
To: forum@abinit.org
Subject: [abinit-forum] {Spam?} Can we calculate phonon spectrum using PAW or PAW+U?
Date: Fri, 7 Aug 2009 13:05:39 +0800 (CST)

Dear all,
Have anyone tried to calculate phonon spectrum using PAW or PAW+U ?
As I am dealing correlated electron system. I tried but got:

chkint: ERROR -
Context : the value of the variable optdriver is 1.
The value of the input variable iscf is 17,
while it must be smaller or equal to 9.
Action : you should change the input variables iscf or optdriver.
-P-0000-P-0000 leave_new : decision taken to exit ...

Any suggestions? Thanks!

yuanxun

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[abinit-forum] {Spam?} Can we calculate phonon spectrum using PAW or PAW+U?, yx_pxmu, 08/07/2009
- Re: [abinit-forum] {Spam?} Can we calculate phonon spectrum using PAW or PAW+U?, matthieu verstraete, 08/07/2009