On Mon, 5 Jun 2006, bipul rakshit wrote:
| hi siesta users,
| i am calculating the phonon frequencies of MgB2. i got nice match in bulk
modulus of 156 GPa with LDA. While the experimental value is 151 GPa.
|
| With that Pseudopotential when i tried to calculate the phonon frequency by
Vi
hi siesta users,
i am calculating the phonon frequencies of MgB2. i got nice match in bulk
modulus of 156 GPa with LDA. While the experimental value is 151 GPa.
With that Pseudopotential when i tried to calculate the phonon frequency by
Vibra. i got -ve frequencies.
can any body
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