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- From: "张�s" <zhangting1980323@gmail.com>
- To: forum@abinit.org
- Subject: Can phonon calculation be implemented with PAW methods in ABINIT ?
- Date: Fri, 1 Sep 2006 15:52:36 +0800
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Dear ABINIT users:
The PAW methods take great advantage of the lower cutoff energy compared with Norm-conserving PP, but when I try to use it to perform phonon
calculations, there are errors at last of the log:
------------------------------------------
chkinp: machine precision is 2.2204460492503131E-16
chkinp: Checking input parameters for consistency, jdtset= 1.
chkinp: Checking input parameters for consistency, jdtset= 2.
chkinp: Checking input parameters for consistency, jdtset= 3.
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.
chkinp: Checking input parameters for consistency, jdtset= 4.
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.
chkinp: Checking input parameters for consistency, jdtset= 5.
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.
leave_new : decision taken to exit ...
----------------------------------------------------------------------------
Does this mean that I can't use PAW method to perform a phonon calcluation? Thanks!
- Can phonon calculation be implemented with PAW methods in ABINIT ?, 张�s, 09/01/2006
- Re: [abinit-forum] Can phonon calculation be implemented with PAW methods in ABINIT ?, Matthieu Verstraete, 09/01/2006
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