/VO2_dist_222 VO2_dist_config0

Title:	/VO2_dist_222 VO2_dist_config0
Browse item:	https://iochem-bd.iciq.es:443/browse/handle/100/65456
Program:	vasp 5.4.4
Author:	Benzidi, Hind
Formula:	O64V32
Calculation type:	Single point
Functional:	N/A
Shell type:	(ISPIN )

SETTINGS

SIGMA:
ISMEAR:
NELECT:
EDIFF:
POTIM:
LDAUL:
LDAUU:
LDAUJ:

ATOM INFO

Atomic coordinates [Å]

Cell parameters:


a = 11.972505569
b = 8.957262039
c = 10.930593490875852
α = 90.0
β = 123.43
γ = 90.0

Nuclei charge


V	13.000
O	6.000

Coordinate type :Both Cartesian Fractional

		Cartesian coordinates			Fractional coordinates			Pseudopotential
		x	y	z	u	v	w	Pseudopotential

JOB |

Structure

Symmetry:

{ }

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