Hi,
Dear All,
If in a MD run with SMASS = -1, we set TEBEG to a value equal to TEEND, then we have :
Temp = TEBEG which is a constant value.
Now, are we performing a micro-canonical ensemble (NVE) or canonical ensemble (NVT) or ... ?
I d really appreciate for any kind of help
Cheers
MD with SMASS = -1
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kambiz
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MD with SMASS = -1
Last edited by kambiz on Mon Mar 03, 2014 5:20 am, edited 1 time in total.
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support_vasp
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Re: MD with SMASS = -1
Hi,
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