TEEND: Difference between revisions

Revision as of 22:31, 29 March 2011

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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 {{TAGDEF|TEEND|[real]|{{TAG|TEBEG}}}}
-Description: {{TAG|TEEND}} sets the final temperature for an ab-initio molecular dynamics run ({{TAG|IBRION}}=0).
+Description: {{TAG|TEEND}} sets the final temperature for an ab-initio molecular dynamics run ({{TAG|IBRION}}=0; {{TAG|SMASS}}=&minus;1).
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 == Related Tags and Sections ==