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it's when you deal with temperature that
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it's when you deal with temperature that
it becomes unfortunately rather
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it becomes unfortunately rather
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it becomes unfortunately rather
important to understand the physics that
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important to understand the physics that
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important to understand the physics that
drives your phenomena
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drives your phenomena
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drives your phenomena
um so you can't sort of make a blind
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um so you can't sort of make a blind
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um so you can't sort of make a blind
choice so let's say our
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choice so let's say our
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choice so let's say our
abinal Hamilton you know was perfect
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abinal Hamilton you know was perfect
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abinal Hamilton you know was perfect
like LDA or GGA had no errors and then
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like LDA or GGA had no errors and then
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like LDA or GGA had no errors and then
we do
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we do
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we do
molecular Dynamics so we let the atoms
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molecular Dynamics so we let the atoms
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molecular Dynamics so we let the atoms
kind of move around and we have infinite
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kind of move around and we have infinite
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kind of move around and we have infinite
computer time so you know we can sample
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computer time so you know we can sample
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computer time so you know we can sample
long enough and simulate long enough
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long enough and simulate long enough