InGaSb properties

Total energy, geometry optimization, DFT+U, spin....

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Uness
Posts: 2
Joined: Mon Mar 20, 2017 3:06 am

InGaSb properties

Post by Uness » Mon Mar 20, 2017 3:11 am

I want to calculate the structural and electronic and optical properties of the InGaSb ternary alloy......please help

ilukacevic
Posts: 271
Joined: Sat Jan 16, 2010 12:05 pm
Location: Dept. of Physics, University J. J. Strossmayer, Osijek, Croatia
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Re: InGaSb properties

Post by ilukacevic » Mon Mar 20, 2017 8:17 am

Dear Uness,

Please, refer first to the Tutorials given on the abinit web

http://www.abinit.org/doc/helpfiles/for-v8.2/tutorial/welcome.html

After that you might have some specific questions, which can be more easily answered.

Best regards,

Igor

Uness
Posts: 2
Joined: Mon Mar 20, 2017 3:06 am

Re: InGaSb properties

Post by Uness » Mon Mar 20, 2017 3:04 pm

i have a problem with the psp files because i have a ternary alloy
InGaSb1.in
InGaSb1.out
InGaSb1.i
InGaSb1.o
InGaSb1.x
../../../Psps_for_tests/49in.3.hgh
../../../Psps_for_tests/31ga.pspnc
../../../Psps_for_tests/51sb.5.hgh
i tried everything but i cant solve it

ilukacevic
Posts: 271
Joined: Sat Jan 16, 2010 12:05 pm
Location: Dept. of Physics, University J. J. Strossmayer, Osijek, Croatia
Contact:

Re: InGaSb properties

Post by ilukacevic » Tue Mar 21, 2017 8:13 am

I cannot see any problem in your files file. How do you know that you have a problem? Do you get some kind of error in the log file?

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