On Fri, 28 Jul 2006, bipul rakshit wrote:
| hello seista user,
| I am doing phonon dispersion calculation of PtN (ZB) with the help of Vibra,
| with a mesh cutoff 250 Ry, and monsk_pack=12x12x12
| and
| super_cell 1
| super_cell 1
| super_cell 1
|
| But it iwill taking too
hello seista user,
I am doing phonon dispersion calculation of PtN (ZB) with the help of Vibra,
with a mesh cutoff 250 Ry, and monsk_pack=12x12x12
and
super_cell 1
super_cell 1
super_cell 1
But it iwill taking too much time ( in days) to complete the full
calculation.
H
hello siesta user,
I am doing some high pressure = calculations on PtN, with the options below.
But it takes a lot of time ( more than 2days) still it is not finished.
What can i do to get the relaxed parameters quickly
MD.TypeOfRun Anneal
MD.AnnealOption
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