TEEND

TEEND = [real]
Default: TEEND = TEBEG 

Description: TEEND sets the final temperature for an ab-initio molecular dynamics run (IBRION=0; SMASS=−1).

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Related Tags and Sections

TEBEG, IBRION, SMASS

Example Calculations using this Tag

Constrained MD using a canonical ensemble, Constrained MD using a microcanonical ensemble, H2O molecular dynamics, liquid Si, Standard relaxation

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