[Pw_forum] some problem in calculate EFG

hadi hassaniyan arefi hassaniyan at modares.ac.ir
Sat Apr 8 12:35:49 CEST 2006

dear manageres:
i have have some fundamental problem in filling the input files for EFG like 
example 24:
1) i think that in input file for pw "ibra" must be zero all time.am i 
true?if "yes" so what about the molecules?can we define for them unit cell 
and number of atoms in unit cell?

2)next if ibra=0  "cell parameter" namelist must filled.in fact i couldnt 
understand what it means and how i can fill it for diffrent systemes.
 best regard
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