[SIESTA-L] molecular dynamics (AIMD) calculations

Mon, 02 Jul 2018 13:08:43 -0700 

 Dear siesta users,

I want to perform ab initio molecular dynamics (AIMD) calculations using
the Nose-Hoover method to check the stability of a functionalized structure.Can
you please guide me in how to do this ?


Regards,
Najmeh Honari

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