[Pw_forum] charge density

2011-08-14 Thread Mansoureh Pashangpour
Dear all
how can I set e1(i) and e2(i) to find  2 D rho plot for graphene.
thanks alot
M. Pashangpour
Islamic Azad University
Tehran, IRAN


[Pw_forum] band structure

2011-08-14 Thread bhabya sahoo
i have calculated the band structure for cscl phase
but what is the wrong with this
how the kpoints are given in the band structure
for cscl phase
please tell me
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[Pw_forum] problem with bands.x ver. 4.3.1

2011-08-14 Thread naz...@iasbs.ac.ir


Dear All,
Please find in the attachment two band structures
for graphene. Two inputs for them are the same. The only difference is
?in the QES version. It seems that bands.x in QSE version 4.3.1 does
not work properly. But the plot with version 4.2 is the same as reported
plots for graphene in literature. 
Would you please let we know what
is the problem?

regards
Fariba Nazari
IASBS 


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