Dear Hui Wang. There is no simple way to control the number of slabs. By default it is equal to nr3s, the number of smooth mesh points in the z direction (direction of transport), as defined in PW and which is controlled by the cut-off energy for pseudo wave functions. Anyway, I do not think there is any reason to change nrz by hands (not by changing the cut-off energy) ...
Quoting xirainbow <nkxirainbow at gmail.com>: > 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)"? it is 1 (or 0) if the nonlocal orbital iorb intersects (or not) the corresponding slab. Regards, Alexander > > Thanks in advance :) > > > ____________________________________ > Hui Wang > School of physics, Nankai University, Tianjin, China > ---------------------------------------------------------------- SISSA Webmail https://webmail.sissa.it/ Powered by Horde http://www.horde.org/
