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[abinit-forum] Question about the warning "New trial energy at line xx is higher than former"


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  • From: "张�s" <zhangting1980323@gmail.com>
  • To: forum@abinit.org
  • Subject: [abinit-forum] Question about the warning "New trial energy at line xx is higher than former"
  • Date: Mon, 27 Oct 2008 19:22:51 +0800
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Dear all:
 
     In response calculations, I often get a lot of warning messages like this:
 
-P-0000  cgwf3: WARNING -
-P-0000   New trial energy at line       3 =  -5.446712E+02
-P-0000      is higher than former: -5.446712E+02
    What's the meaning? Does it affect the result, and how to avoid this annoying warning message? In attachment are my input file, and the run just use 5b.pspnc and 7n.pspnc as PP file.

Attachment: phon_36.in
Description: Binary data




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