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