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Ab initio Calculations Using Q-Espresso Code

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Generating k-point mesh tool

style="color: black;"> 2020/9/28 Update: Support ibrav=1~14, celldm input
 

Based on PW/tools/kpoints.x.

Brillouin zone

1 = cubic P (sc ) 2 = cubic F (fcc)
3 = cubic I (bcc) 4 = hex & trigonal P
5 = trigonal r 6 = tetrag p (st )
7 = tetrag i (bct) 8 = orthor p (so )
9 = orthor base-cent. 10 = orthor face-cent.
11 = orthor body-cent. 12 = monoclinic p
13 = monocl base-cent. 14 = triclinic p

ibrav: (* Required)


n1: n2: n3:
sk1: sk2: sk3:
full mesh=(y or n):  
   
 
To use this tool check the following link:
 
http://www.densityflow.com/kmesh.php 
 

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