| 3:03:18 PM PST - Fri, Jan 24th 2014 |
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Hello,
I am trying to calculate the polarizability of small polymer systems. These systems are periodic and around 1000 atoms.
I have a few questions regarding this calculation:
1. I have tried to use DFT Module + "system crystal" thinking that this would make this system periodic. Are periodic boundary conditions implemented for the DFT Module?
2. Also is the property module applicable with the NWPW module? I know that NWPW can handle periodic boundary conditions, but I am not sure if it can be used to calculate polarizability since I haven't been able to find any examples.
Thank you for any suggestions/help/advice.
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