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#1 2020-01-26 00:19:36
- fyzan
- Member
- Registered: 2020-01-25
- Posts: 21
Gaussian 16 alternative for calculating first hyperpolarizability
Dear Professor Tian LU,
I want to know are there any other code (preferably periodic DFT code like CASTEP, Quantum espresso etc) that can calculate polarizability and first hyperpolarizability like gaussian 16?
Thanks
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#2 2020-01-26 10:37:38
Re: Gaussian 16 alternative for calculating first hyperpolarizability
I don't have much experience in Quantum Espresso, but it seems that this code is able to perform this kind of calculation. You can search "Quantum Espresso polarizability" in Google.
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#3 2020-01-26 11:56:12
- fyzan
- Member
- Registered: 2020-01-25
- Posts: 21
Re: Gaussian 16 alternative for calculating first hyperpolarizability
ok Thank you very much sir
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