Dear community, I have got a question of the produced k-point numbers in the QE program. When I use kpoints.x, I have obtain below results;
***************************************************
* *
* Welcome to the special points world! *
*________________________________________________ *
* 1 = cubic p (sc ) 8 = orthor p (so ) *
* 2 = cubic f (fcc) 9 = orthor base-cent. *
* 3 = cubic i (bcc) 10 = orthor face-cent. *
* 4 = hex & trig p 11 = orthor body-cent. *
* 5 = trigonal r 12 = monoclinic p *
* 6 = tetrag p (st ) 13 = monocl base-cent. *
* 7 = tetrag i (bct) 14 = triclinic p *
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bravais lattice >> 4
filout [mesh_k] >> ll
enter celldm(3) >> 1.2544
mesh: n1 n2 n3 >> 8 8 8
mesh: k1 k2 k3 (0 no shift, 1 shifted) >> 0 0 0
write all k? [f] >>
# of k-points == 50 of 512
On the other hand when I tried to calculate a similar hexagonal material
that is given in the attached file, it gave 60 k-points instead of 50. This
has happened time to time, but I could not figure how to overcome it. Is
there anyone know the reason or how to overcome it?
Thanks in advance.
Yasin
--
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*Arş. Gör. Dr. H. Yasin UZUNOKRes. Asst. Dr. H. Yasin UZUNOK*
*Sakarya Üniversitesi Fizik Bölümü*
*Sakarya University Physics Department*
*Tel:+90 264 2956192*
*Gsm: +90 554 7300135*--------------------------------------------------
scf.in
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