[Pw_forum] what's the difference between 'md' in pw.x and cp.x

[vega lew]

Dear all,

I want to perform ab initio molecular dynamics calculation via Q-E. I found
both cp.x and pw.x could undertake this calculation.
I wonder what's the difference between 'md' in pw.x and cp.x, and if I could
achieve the same final geometry for same systems (the coordinates of atoms,
temparature, box dimensions and K-ponits etc. are exactly the same) by this
two methods.
Do you think both 'md' calculation in pw.x and 'cp' in cp.x could be regard
as the 'Car-Parrinello Molecular Dynamics' calculation and do the almost the
same thing as the 'CPMD' codes copyrighted jointly by IBM Corp.

thank you for reading

best,

vega
-- 
==================================================================================
Vega Lew ( weijia liu)
PH.D Candidate in Chemical Engineering
State Key Laboratory of Materials-oriented Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
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Email: vegalew at gmail.com
Office: Room A705, Technical Innovation Building, Xinmofan Road 5#, Nanjing,
Jiangsu, China
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