Electric field calculation

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Electric field calculation

Postby ornis » Mon Mar 13, 2017 11:21 am

Dear Altruists

For my VASP.5.4.1 calculation I have two metal surfaces (flat and corrugated) and I have to calculate their corresponding electric field. Hence I would like to know two points-

1. Is it possible to get the electric field directly from VASP? If possible then how, as VASP manual does not give any explicit idea regarding this analysis.
2. If VASP does not give any direct calculation of electric field is there any other way to get the electric field within VASP?

Thank you very much.
ornis
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Re: Electric field calculation

Postby admin » Tue Mar 14, 2017 2:30 pm

The VASP calculates the total local potential (LVTOT=.TRUE.)
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Re: Electric field calculation

Postby ornis » Wed Mar 15, 2017 1:57 am

Dear Admin

Thank you very much for your prompt response. Although I am aware of the "LOCPOT" file for local electrostatic potential (LVTOT=.TRUE.; LVHAR=.TRUE.), I would like to know is there any script available to calculate the electric field (derivative of electrostatic potential) from the "LOCPOT" file?

Thank you again.
ornis
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Re: Electric field calculation

Postby admin » Wed Mar 15, 2017 9:17 am

There is a script for displaying the electrostatic potential
viewtopic.php?f=4&t=16951&p=17361&hilit=vtotav#p17361
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