[Pw_forum] How to understand the intermolecular force between water molecules calculated by PWSCF

[vega lew]

Dear all,

if we calculated the a couple of  water molecles in a large enough boxes, we
will find the H of water must point to O of another water.
We often call this kind of attraction as hydrogen bond.
But I want to know except for hydrogen bond, is there van der waals force or
other forces included in the results given by PWSCF?

thanks for reading

vega

-- 
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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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