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Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials

License: BSD 3-Clause "New" or "Revised" License

TeX 20.05% Python 64.31% Shell 15.64%

nano266's People

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adengz avatar grbala avatar jiqi535 avatar shyuep avatar yimingchen-eng avatar

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czhengsci zbwang adengz grbala snazrul1 tjdawkins nisarkar wyl004 qihzhao zil347 masteryyj rahat084 snehdhruv asmhatre96 steph-zhang-30 hep005 sjtuzhanglei itzme-jp arthur-smse jiqi535 ashleyyshen

nano266's Issues

Why the c/a ratio is not ~1.6?

Ideally, it should be 1.633. The data in MP is ~1.6, no matter calculated or from ICSD. But why are we trying near 1.73?

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