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header of XDATCAR in vasp4.6

Posted: Tue Sep 25, 2012 7:58 am
by musharaf
I run a MD simulation of metal-ion water system using vasp4.6.
The total atoms are 193. The cell dimension is 14.2x14.2x14.2.
The potim is 1 fs. MD cycle (NSW) is 10000. The header in the output file is as follwos:

193 193 10000 !This is atoom numbers and MD cycle
0.1483569E+02 0.1420000E-08 0.1420000E-08 0.1420000E-08 0.1000000E-14
400.000000000000! This is temperature
CAR
unknown system

I am unable to get the first four of the second line.
my cell dimension is 14.2 Anstrom ie. 14.2x10-8cm but how it is writing .1420000E-08. What is the unit of it.
Thank in advance.
SMA

Re: header of XDATCAR in vasp4.6

Posted: Thu Sep 12, 2024 7:26 am
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

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