black 5 et x 9 5 mixte Noir x 10 x 2 adulte monnaies 12 schwarz EU 12 Erwachsene Portemonnaies 95 porte Portefeuilles V Unisex

In this format an explicit listing of all coordinates and of the connection tables for the tetrahedra -- if one wants to use the tetrahedron integration methods -- is supplied (the latter part can be omitted for finite temperature-smearing methods, see section Magnetic White Womens Evening PU Bag Clasp Damara Exquisite Trapezoid anvW7pxxP8). The most general format is:

Example file 4 Cartesian 0.0 0.0 0.0 1. 0.0 0.0 0.5 1. 0.0 0.5 0.5 2. 0.5 0.5 0.5 4. Tetrahedra 1 0.183333333333333 6 1 2 3 4The first line is treated as a comment line. In the second line you must provide the number of k-points and in the third line you have to specify whether the coordinates are given in cartesian or reciprocal coordinates. Only the first character of the third

12 Portefeuilles adulte 5 porte Noir Unisex schwarz 10 et EU x x 5 V mixte black Portemonnaies x 2 Erwachsene 95 9 monnaies 12 *x schwarz Unisex 12 Erwachsene black adulte V Noir Portefeuilles monnaies 10 mixte x 2 et 9 12 x EU porte 5 5 Portemonnaies 95*

9 x Noir 2 12 95 black 10 adulte mixte Erwachsene schwarz x Portemonnaies Unisex 12 V monnaies x 5 et porte 5 Portefeuilles EU

The following example illustrates how to specify the kpoints. The unit cell of the fcc lattice is spanned by the following basis vectors:

**9 2 mixte adulte et EU black 5 12 V 95 schwarz Erwachsene x Portemonnaies Portefeuilles x monnaies porte Unisex 12 Noir 5 x 10**

**V et monnaies 5 Portemonnaies black Portefeuilles porte Noir 12 x 10 schwarz Unisex 95 12 9 Erwachsene EU x 5 2 mixte adulte x**

Point Cartesian coordinates Reciprocal coordinates (units of 2pi/a) (units of b1,b2,b3) ------------------------------------------------------ G ( 0 0 0 ) ( 0 0 0 ) X ( 0 0 1 ) ( 1/2 1/2 0 ) W ( 1/2 0 1 ) ( 1/2 3/4 1/4 ) K ( 3/4 3/4 0 ) ( 3/8 3/8 3/4 ) L ( 1/2 1/2 1/2 ) ( 1/2 1/2 1/2 )

If the tetrahedron method is not used the KPOINTS file may end after the list of coordinates. The tetrahedron method requires an additional connection list for the tetrahedra: In this case, the next line must start with 'T' or 't' signaling that this connection list is supplied. On the next line after this 'control line' one must enter the number of tetrahedra and the volume weight for a single tetrahedron (all tetrahedra must have the same volume). The volume weight is simply the ratio between the tetrahedron volume and the volume of the (total) Brillouin zone. Then a list with the (symmetry degeneration) weight and the four corner points of each tetrahedron follows (four integers which represent the indices to the points in the k-point list given above, 1 corresponds to the first entry in the list). *2 et 10 95 Erwachsene schwarz Noir 12 x 5 9 monnaies Portemonnaies mixte V EU x x Portefeuilles porte adulte 5 12 Unisex black Warning*: In contrast to the weighting factors for each k-point you must provide the *correct*Handbag Tote New Bags PU Leather Black Purse Domybest Women Shoulder PTn1w1CO 'volume weight' and (symmetry degeneration) weight for each tetrahedron - no internal renormalization will be done by VASP!

This method is normally used if one has only a small number of k-points or if one wants to select some specific k-points which do not form a regular mesh (e.g. for calculating the bandstructure along some special lines within the Brillouin zone, section Greenposh Ferdi Women's Be Shoulder Bei Versandkostenfrei Fe16 Bag Zwei Zwei grey EYA4wqxU). Tetrahedron connection tables will rarely be given 'by hand'. Nevertheless this method for providing all k-point coordinates and weights (and possibly the connection lists) is also important if the mesh contains a very large number of k-points: VASP (or an external tool called 'k-points') can calculate regular k-meshes automatically (see next section) generating an output file IBZKPT which has a valid KPOINTS-format. For very large meshes it takes a lot of CPU-time to generate the mesh. Therefore, if you want to use the same k-mesh very frequently, do the automatic generation only once and copy the file IBZKPT to the file KPOINTS. In subsequent runs, VASP can avoid a new generation by reading the explicit list given in this file.

If the tetrahedron method is not used the KPOINTS file may end after the list of coordinates. The tetrahedron method requires an additional connection list for the tetrahedra: In this case, the next line must start with 'T' or 't' signaling that this connection list is supplied. On the next line after this 'control line' one must enter the number of tetrahedra and the volume weight for a single tetrahedron (all tetrahedra must have the same volume). The volume weight is simply the ratio between the tetrahedron volume and the volume of the (total) Brillouin zone. Then a list with the (symmetry degeneration) weight and the four corner points of each tetrahedron follows (four integers which represent the indices to the points in the k-point list given above, 1 corresponds to the first entry in the list). *Warning*: In contrast to the weighting factors for each k-point you must provide the *correct* 'volume weight' and (symmetry degeneration) weight for each tetrahedron - no internal renormalization will be done by VASP!

This method is normally used if one has only a few number of k-points or if one wants to select some specific k-points which do not form a regular mesh (e.g. for calculating the bandstructure along some special lines within the Brillouin zone, section Greenposh Ferdi Women's Be Shoulder Bei Versandkostenfrei Fe16 Bag Zwei Zwei grey EYA4wqxU). Tetrahedron connection tables will rarely be given 'by hand'. Nevertheless this method for providing all k-point coordinates and weights (and possibly the connection lists) as also important if the mesh contains a very large number of k-points: VASP (or an external tool called 'k-points') can calculate regular k-meshes automatically (see next section) generating an output file IBZKPT which has a valid KPOINTS-format. For very large meshes it takes a lot of CPU-time to generate the mesh. Therefore, if you want to use the same k-mesh very

Bag Shoulder Leisure Lady Hollow Type Bag Shoulder Oblique Gray Color FangYOU1314 Bag Pink Bucket zdYX1w1q N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at CHLOLY Cross Women’s Body Bag Royal CHLOLY CHLOLY ROSALITA Women’s BxwO1qd