Dear all!
I tried to obtain the PDOS of the graphene on the substrate.
The XC is CA
My INCAR is given below:
=====
NSW = 0
IBRION = 1
ISIF = 2
POTIM = 0.5
LORBIT = 11
NPAR=8
SIGMA = 0.01
ISMEAR=-5
EMIN = -0.5
EMAX = 10
ALGO = VeryFast
LREAL = F
=====
I got the good total DOS but all obtained decomposed values equal zero.
All values of PDOS from DOSCAR and PROCAR are zero,
total charge also equals zero:
# of ion s p d tot
----------------------------------------
1 0.000 0.000 0.000 0.000
...
45 0.000 0.000 0.000 0.000
------------------------------------------------
tot 0.000 0.000 0.000 0.000
Would you please tell me what I did wrong?
Thank you!
zeros values in PDOS
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PSorokin
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zeros values in PDOS
Last edited by PSorokin on Thu Aug 16, 2012 8:13 am, edited 1 time in total.
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support_vasp
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Re: zeros values in PDOS
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