I did a MD simulation and now want to draw pair correlation graphics. But i can not understand the format of PCDAT file.
What should i use as x coordinate of my graphics? There is just one column in my PCDAT file.
Thank you for your help
PCDAT file
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ccccc
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PCDAT file
Last edited by ccccc on Thu Dec 08, 2011 12:12 pm, edited 1 time in total.
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tlchan
PCDAT file
You can refer to the VASP manual for details. By default, the x-axis in PCDAT spans 16 A, which is divided into 256 bins. The setting can be changed according to your need as documented.
Last edited by tlchan on Mon Dec 12, 2011 3:50 am, edited 1 time in total.
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ccccc
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PCDAT file
thank you for your help.
Last edited by ccccc on Wed Dec 14, 2011 2:17 pm, edited 1 time in total.