[Pw_forum] How to control number of slabs in pwcond calculation?
xirainbow
nkxirainbow at gmail.com
Fri Sep 11 18:01:30 CEST 2009
Dear all: I find the following content at
"/espresso-4.0.4/examples/example12/results/al.cond.out" file.
*" nrz = 21*
*.........*
* k slab z(k) z(k+1) crossing(iorb=1,norb)*
* 1 0.0000 0.0673 0.0673 111100000000*
*.........*
* 20 1.2793 1.3467 0.0673 000001111111*
* 21 1.3467 1.4140 0.0673 000000001111 "*
I want to know, at *.cond.in input file, how to control the number of
slabs along z direction in left, right lead and scattering region,
respectively.
By the way, what is the meaning of "crossing(iorb=1,norb)"?
Thanks in advance :)
____________________________________
Hui Wang
School of physics, Nankai University, Tianjin, China
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