How to set the DIRECTION of an external electric field in VASP?

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salva · #1 Post by **salva** » Tue Feb 06, 2007 3:30 pm

Hello,
It is hard for me to understand how the electric field is set up in the program.
If I define EFIELD as a vector (I want the field to be in the x-direction):
EFIELD= 0.01 0.0 0.0
I get the following error message:
internal error: XML_INCAR called with a vector, use XML_INCAR_V instead EFIELD

Nevertheless, when I write the field as an scalar:
EFIELD= 0.01
the program goes with no problem (it certainly wants to read a scalar for the field). How can I indicate the program the direction of the electric field? Or, if this is not possible, what is the default direction in which this field is defined so that I rotate my system accordingly?

Thank you in advance for your time!
Salvador.

#2 Post by **admin** » Mon Feb 12, 2007 2:03 pm

the direction of the external field is along the z axis by default,
please rotate the cell

salva · #3 Post by **salva** » Mon Feb 19, 2007 2:29 pm

Thank you!
S.