PCDAT: Difference between revisions

Revision as of 08:49, 15 November 2018

The PCDAT file contains the pair correlation function. For dynamic simulations (IBRION $\geq$ 0) an averaged pair correlation is written to the file (see also NBLOCK, KBLOCK, NPACO and APACO).

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	The {{TAG\|PCDAT}} file contains the pair correlation function. For dynamic simulations ({{TAG\|IBRION}}<math>ge</math>0) an averaged pair correlation is written to the file (see also {{TAG\|NBLOCK}}, {{TAG\|KBLOCK}}, {{TAG\|NPACO}} and {{TAG\|APACO}}).		The {{TAG\|PCDAT}} file contains the pair correlation function. For dynamic simulations ({{TAG\|IBRION}}<math>\ge</math>0) an averaged pair correlation is written to the file (see also {{TAG\|NBLOCK}}, {{TAG\|KBLOCK}}, {{TAG\|NPACO}} and {{TAG\|APACO}}).

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