[Pw_forum] How to control number of slabs in pwcond calculation?
xirainbow
nkxirainbow at gmail.com
Sat Sep 12 05:06:25 CEST 2009
Dear* *Manoj Srivastava:
* Thanks very much for your reply :)*
* As I am not familiar with fortran, it is not a good idea for me to
change the script :)*
* I collect the distance between neighboring slabs:*
* 4.57*0.0566=0.259 (ni.cond.out)
12*0.025=0.3 (Alwireal.cond.out)
5.3*0.0673=0.357 (al.cond.out)
12*0.025=0.3(for lead) 12*0.0257=0.308(for scattering) (AlwireH.cond.out)
I think the default value for neighboring-slab distance is around 0.3 a.u.
Thanks again :)
*____________________________________
Hui Wang
School of physics, Nankai University, Tianjin, China
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