[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090911/d976d60f/attachment.htm 


More information about the Pw_forum mailing list