Hello,
I want to apply a external electric in VASP-5.2. I have tested for one water molecule. The electric field is parallel to dipolar moment.
In my INCAR file i adding:
EFIELD_PEAD = 0.5 0.0 0.0 # EX, EY, EZ en eV/Ang
LCALCEPS =.TRUE. # calcul de tenseur dielectric
LCALCPOL =.TRUE. #Calcul de polarisation
No difference energy was showed in different EFILED_PEAD value!
Can anyone give an advise how to apply EFIELD in VASP-5.2.2 ?
Tank you very much for your help
Omar
External electric field in VASP-5.2.2
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ASSOWE omar
External electric field in VASP-5.2.2
Last edited by ASSOWE omar on Tue Jun 21, 2011 12:01 pm, edited 1 time in total.
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support_vasp
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Re: External electric field in VASP-5.2.2
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