Thank you Prof. Gavin Sir
I did not see any factorization error. or similar that I could fix with your
inputs and my understanding.I also tried to run various calculations with Ipfac
from 5 to 100 but the error still persists. What I see changes are the error
occurred at different temperature values in different Ipfac value.It is an
alloyed structure. For parent structure, I did not see any error up to 1E22
(1E18 to 1E22) doping level while in alloyed structure I faced Fermi error at
4E21 doping level.
The error message might be due to the alloying element. I do not have much
knowledge about how much carrier concentration may be possible in a structure.
So If we replace a lower Z element by a high Z element from the same group
(7A), then there may be some limitation of doping levels. But I do not know
about this domain.
The exact error message is:
================ BoltzTraP vs 1.2.5 ============= 6E21
XXXXXXXX 0.351378446329918
-0.234775561786487 5.000000000000000E-004 npoints 1173Doping
level number 1 n = 0.600E+22 carriers/cm3 Doping corresponds to
1.64561901912858 excess holes per unit cellDoping level number 2 n =
-0.600E+22 carriers/cm3 Doping corresponds to -1.64561901912858 excess
electrons per unit cell Error - Fermi level was not found for doping
2 at temperature 400.000000000000 Error - Fermi level was not found
for doping 2 at temperature 500.000000000000 72.2u 0.1s
1:13.58 98.4% 0+0k 0+33848io 0pf+0w
On Sunday, 30 July 2017 10:41 PM, chin Sabsu <chinsa...@yahoo.in> wrote:
Dear Users,After successful attempt of electronic, optical and magnetic
properties, I tried to run Boltztrap calculation.In an alloyed compound with
different doping level concentrations, I encountered below error.
"Error - Fermi level was not found for doping"
Please suggest me:What does it mean and how to overcome this situation.
Thanks in advance and help will be highly appreciated.
Thank youChin
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