On Tue, 18 Jul 2006, bipul rakshit wrote:
| hello siesta user,
|
| i am facing a problem in using Vibra for PtN calculations.
| i got frequencies at gamma point 0.0032 0.0488 0.0540 526.0463 526.0609
526.0764
|
| it is correct?
Three acoustic frequencies are close enough
hello siesta user,
i am facing a problem in using Vibra for PtN calculations.
i got frequencies at gamma point 0.0032 0.0488 0.0540 526.0463 526.0609
526.0764
it is correct?
but when i construct a supercell = 1 in all the three direction. and when i
run the siesta
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