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[abinit-forum] chkph3 : WARNING


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  • From: lanqingxu@fjnu.edu.cn
  • To: forum@abinit.org
  • Subject: [abinit-forum] chkph3 : WARNING
  • Date: Fri, 15 Jan 2010 14:33:31 +0800

Dear abinit users,
   I'm following the tutor of response functions RF1 to calculate phonons at Gamma point and successfully finished it. But when I changed the material from AlAs to GeS and modified corresponding structural related items, I got the following warnings, 

 chkph3 : WARNING -
  The dynamical matrix was incomplete : phonon frequencies may be wrong ...

Could that be a serious warning or not? Shall I trust the calaulations and outputs or not?
I used GeS  B16 structure, it has 8 atoms  in the primitive cell( the primitive cell is also the same as conventional cell). And I use rprim
   1 0 0
   0 1 0
   0 0 1
because it is orthorhombic. I just cpoied the input file from the tutor and changed the structural items. I'd also done it for the elastic constant calculation using DFPT method. The same warning message appeared.
Any response will be appreciated.

Thank you very much!

Bests,

shelleny 




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