Can we obtain the second derivation(symmetry) by IBRION=5 using vasp 5.2?
Can we calculate phonon frequency by IBRION=6?
When I calculate the phonon, I want to get the DOS at a special frequency,how to do?How do I set ISTART,ICHGCAR?Whether do I do a self-consistent calculation or not?
Thanks a lot !
phonon & DOS
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cindy
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phonon & DOS
Last edited by cindy on Thu Nov 12, 2009 3:17 am, edited 1 time in total.
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support_vasp
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Re: phonon & DOS
Hi,
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