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- From: g0203654@nus.edu.sg
- To: forum@abinit.org
- Subject: problem of phonon calculation on metals
- Date: Sat, 20 Dec 2003 03:31:59 +0100
Dear all,
When I tried to do phonon calculation on Al, I set
occopt 4
tsmear 0.05
However, the log file shows me
cgwf3: problem of minimisation (likely metallic), set resid to -1
cgwf3: problem of minimisation (likely metallic), set resid to -2.
and the calculation does not seem to converge.
Is ABINIT code capable of phonon calculation on metals?
Hope for your help! Anyone can send me your input files about this matter?
Rongqin Wu from Singapore
- problem of phonon calculation on metals, g0203654, 12/20/2003
- Re: [abinit-forum] problem of phonon calculation on metals, Masayoshi Mikami, 12/20/2003
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