Author Topic: problem with band gap calculation  (Read 3993 times)

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Offline rvgr

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problem with band gap calculation
« on: January 17, 2015, 07:10 »
i have run script but it show following error "name 'band gap' is not defined"  is there any another method to find out direct and indirect band gap
i have try through band structure analysis
i have run effective maas with default setting but it does not show indirect and direct band gap its show only particular band eV(e.g :band 0 = x eV)

Offline Umberto Martinez

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Re: problem with band gap calculation
« Reply #1 on: January 17, 2015, 18:54 »
the attached script works fine... no errors there.


Offline rvgr

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Re: problem with band gap calculation
« Reply #2 on: January 18, 2015, 07:16 »
is there any other way to find band gap?
because i dont get result by this script.

Offline Umberto Martinez

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Re: problem with band gap calculation
« Reply #3 on: January 18, 2015, 19:21 »
You do. Maybe it helps if you change the last line to
Code
print "Indirect band gap: ", ind_gap
and find the corresponding line in your log file Another way, you can measure it directly from the Bandstructure analyzer plot :)

Offline rvgr

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Re: problem with band gap calculation
« Reply #4 on: January 19, 2015, 17:15 »
gettting this error when run script

Offline Anders Blom

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Re: problem with band gap calculation
« Reply #5 on: January 19, 2015, 21:49 »
Probably your NC file which you are nlsave-ing into is corrupted. Try saving into another file.