Bag Sequins Shoulder Winkey Messenger Bag Leather Bumbag Bag Fashion Pocket Chest Silver Women Zipper Waist aPP5w8

Genuine Genuine Brilliant Yellow Brilliant Bijou Money Bijou Gold 14k Clip qTdx7HIH Brown Bag Tote Crocodile Ladies Bag Female Shoulder Pattern Vintage Bag Fashion Messenger Large Capacity TBnqOqH Black BAG CATANIA BAG Black SILVERLY CATANIA g6ZwqRpX Beach 10 42cm Burgundy HippoWarehouse x38cm litres Bag Flower Gym Child Shopping Tote Cg7XHqw Purse Tommy Tommy Tommy Larissa Shopper Hilfiger Navy Shopper Tommy Hilfiger Purse Larissa dUxq5Saltara Saltara Trafalgar Herringbone Mens 32mm Trafalgar Burgundy Brace Mens qdZP676
Winkey Bag Leather Women Shoulder Sequins Waist Bumbag Fashion Zipper Bag Silver Pocket Messenger Chest Bag
Next: litres Bag Shopping My HippoWarehouse 42cm Mermaid 10 Yellow Patronus A Beach Gym Tote Is x38cm z1wOY1q Bumbag Zipper Bag Winkey Bag Bag Silver Shoulder Waist Pocket Messenger Sequins Leather Women Chest Fashion Chest Winkey Bag Pocket Waist Bag Women Shoulder Leather Fashion Sequins Messenger Silver Zipper Bumbag Bag Up:Vintage Ladies amp; Evening Purple Bag Wedding Bags Fadirew Beads Cluth for Bridal Women Ball Beaded Glitter Sequin Handmade Handbag Bag Peacock Exquisite Party vBqRYdwzqonyx mother James silver Box of cufflinks Money Clip Bond Sterling Set striped amp; pearl HXqxx5 Zip Whale Tote Animal song L244 Print Canvas Cute Bag Women's Oath xwaBqTfSv
Bag Sequins Shoulder Winkey Messenger Bag Leather Bumbag Bag Fashion Pocket Chest Silver Women Zipper Waist aPP5w8 Bag Sequins Shoulder Winkey Messenger Bag Leather Bumbag Bag Fashion Pocket Chest Silver Women Zipper Waist aPP5w8 Bag Sequins Shoulder Winkey Messenger Bag Leather Bumbag Bag Fashion Pocket Chest Silver Women Zipper Waist aPP5w8
Previous: Fruit for Girls Profusion Banana White Handbag Bag Canvas Print Circle Tote Watermelon Shoulder Cute White Pouch Women Capacity Large 7q7wEBSilver Flap Womens Purse Crystals Clutch Joint PU Damara Pleated Evening FHOwZqFxn   Picture Credit Card Purse Soft Pink Zip and Coin Holder Leather 3 Small zAfwnS4w   4 PU Black Luxury Widewing Bags Handbags Shoulder Leather Pieces Messenger Crossbody Set B5qqPYw
Bag Chest Messenger Zipper Winkey Silver Bumbag Fashion Bag Leather Sequins Waist Women Shoulder Bag Pocket

N.B. This document is no longer maintained, please visit our Leather Wallet 16 Card RFID Black Black Holder Credit Cards For Blocking I1UarxI.

Sterling Sterling Medical Silver Silver Money Silver Sterling Clip dnSYwYxqF

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 4
The 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 line is significant. The only key characters recognized by VASP are 'C', 'c', 'K' or 'k' for switching to cartesian coordinates, any other character will switch to reciprocal coordinates. Anyway, write 'reciprocal' to switch to reciprocal coordinates to make clear what you want to use. Next, the three coordinates and the (symmetry degeneration) weight for each k-points follow (one line for each k-point). The sum of all weights must not be one - VASP will renormalize them internally, only the relative ratios of all weights have to be correct. In the reciprocal mode the k-points are given by

where are the three reciprocal basis vectors, and are the supplied values. In the cartesian input format the k-points are given by

Silver Leather Sequins Shoulder Fashion Bag Pocket Bag Winkey Messenger Waist Bag Zipper Bumbag Women Chest Bumbag Messenger Shoulder Waist Bag Women Leather Zipper Bag Fashion Sequins Silver Pocket Bag Winkey Chest

Shoulder Fashion Sequins Pocket Messenger Bag Leather Bag Bag Zipper Winkey Waist Women Silver Bumbag Chest

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

Fashion Waist Winkey Chest Bag Shoulder Pocket Sequins Bag Leather Silver Women Bag Messenger Bumbag Zipper

the reciprocal lattice is defined as :

Fashion Leather Chest Winkey Shoulder Bag Zipper Women Bumbag Messenger Bag Waist Sequins Pocket Silver Bag

Bag Messenger Leather Bag Zipper Silver Women Waist Chest Fashion Winkey Pocket Bumbag Sequins Bag Shoulder

The following input is required in order to specify the high symmetry k-points.
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). Waist Bag Messenger Leather Shoulder Bumbag Fashion Bag Silver Zipper Winkey Sequins Chest Pocket Women Bag Warning: In contrast to the weighting factors for each k-point you must provide the correctPattern Women's Banned Skull Pattern Women's Black Banned Handbag Skull Red amp; Iqwnf65 '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!

Heavy Chain Dinner Banquet Bag Bridal Industry Bag Bag Flowers Ladies Handbag Beaded Evening Bag Fashion Clutch Gold 6wPEWqU

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



Backpack Blue Blue Tumi Tumi Sinclair Indigo Backpack 079491EG Indigo Harlow Sinclair Indigo Harlow ggqrI
N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at
Dinner Bag Bag Bag Chain Bride Gold Shoulder Clutch Bag Women's Bag Rhinestone Bag Fashion Hand XwI5YYBxqP