Electric field calculations VASP

Queries about input and output files, running specific calculations, etc.


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karthik_hj
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Electric field calculations VASP

#1 Post by karthik_hj » Wed Oct 19, 2022 7:12 am

In the case of application of a static electric field in VASP, we use the EFIELD tag and IDIPOL refers to the direction. Does a negative EFIELD value refer to change in direction? For example lets say
EFIELD=1.0
IDIPOL =2
So this means electric field is parallel to b (lattice vector)

Does EFIELD=-1.0 mean antiparallel to b ??

fabien_tran1
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Re: Electric field calculations VASP

#2 Post by fabien_tran1 » Wed Oct 19, 2022 10:03 am

Sorry, I made a mistake. Yes, the sign of EFIELD indicates the direction. In the directory where there is the test suite there is the example NaCl_field_1, whose INCAR contains
LDIPOL = .TRUE. ! selecte active dipole corrections
IDIPOL = 3 ! correction in z direction
EFIELD = -.1 ! apply a field of -0.1

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Re: Electric field calculations VASP

#3 Post by karthik_hj » Wed Oct 19, 2022 11:18 am

Oh Okay Thank you

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