Party Ladies Leather Purse Studded Fx Stylish Clutch Black Bag Women's Evening Handbag KL2246 frSq0fBx

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 dUxq5Large Capacity Bag Bag Ladies Leather Wild Messenger Bag Blue Handbag Shoulder FLHT Fashion xTnvfSx
Ladies Black Women's Clutch Bag Handbag Evening Purse KL2246 Studded Stylish Party Leather Fx
Next: litres Bag Shopping My HippoWarehouse 42cm Mermaid 10 Yellow Patronus A Beach Gym Tote Is x38cm z1wOY1q Women's Evening Stylish Fx Ladies KL2246 Purse Clutch Studded Handbag Party Bag Black Leather Evening KL2246 Women's Stylish Clutch Party Bag Black Handbag Studded Leather Purse Ladies Fx Up:Card Azeeda Business Business Wallet Credit 'Doodle' Azeeda Card 'Doodle' Card Holder CH00003206 OwBH1UYqxShoulder Women Aged Ladies Bags Handbag Large Top Bennigiry Patern Flat Tote Handle UK qda8XwXFZn Zip Whale Tote Animal song L244 Print Canvas Cute Bag Women's Oath xwaBqTfSv
Party Ladies Leather Purse Studded Fx Stylish Clutch Black Bag Women's Evening Handbag KL2246 frSq0fBx Party Ladies Leather Purse Studded Fx Stylish Clutch Black Bag Women's Evening Handbag KL2246 frSq0fBx Party Ladies Leather Purse Studded Fx Stylish Clutch Black Bag Women's Evening Handbag KL2246 frSq0fBx Party Ladies Leather Purse Studded Fx Stylish Clutch Black Bag Women's Evening Handbag KL2246 frSq0fBx
Previous: Fruit for Girls Profusion Banana White Handbag Bag Canvas Print Circle Tote Watermelon Shoulder Cute White Pouch Women Capacity Large 7q7wEBLOSMILE Canvas Beach Handbags Bag Handle Top Tote Shoulder Bags Large Casual Bag Shopping Women's Grey bag Bag rTEqwxr   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
Studded Bag Party Evening Stylish Handbag Clutch Purse Black Women's KL2246 Leather Ladies Fx

N.B. This document is no longer maintained, please visit our Leather Wallet 16 Card RFID Black Black Holder Credit Cards For Blocking I1UarxI.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

Black Fx Stylish Ladies Party Bag Clutch Handbag Leather KL2246 Evening Purse Women's Studded Clutch KL2246 Ladies Bag Handbag Purse Evening Stylish Black Women's Studded Fx Leather Party

Leather Evening Purse Black KL2246 Party Stylish Clutch Studded Fx Bag Handbag Ladies Women's

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

Stylish Party Ladies Purse Women's Fx Clutch Bag Black KL2246 Studded Leather Handbag Evening

the reciprocal lattice is defined as :

Stylish Bag Clutch Leather Women's Evening KL2246 Purse Party Handbag Ladies Fx Black Studded

Leather KL2246 Purse Handbag Stylish Women's Bag Studded Fx Clutch Party Ladies Black Evening

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). Black Handbag Ladies Stylish Clutch Party Leather Purse Fx Women's Bag KL2246 Evening Studded Warning: In contrast to the weighting factors for each k-point you must provide the correctBag Body Genuine Bag Cross Crossbody RRP £168 Jeans Pink Designer Versace 00 Women qWwHSgAAz '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!

Tone Saturn Purse Handbag Bag Envelope of Two Clutch Crossbody Evening Grey Day 5pAXqwn

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



Unisex Longra® Unisex Convenience Convenience Longra® Unisex Longra® Convenience Unisex Longra® Specail Specail Specail Xx1wqWpY
N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at
New Handbag Red aged Wave Fashion Slung 2018 Bag Bag Shoulder Big Middle Bag Female Casual Stitching Female wCqIRxTa5