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Recently, I used the SSCHA code to minimize the dynamic matrix and to study the influence of qauntum effects on the system I concerned. After SSCHA minimisation, the log says the system is under 2.8 GPa, and the structure I used is fully relaxed without any pressure. Does it mean that the structure changed when the quantum effects are taken into account? How can I output the structure after SSCHA minimisation? Or is it just an auxiliary pressure value likes the SSCHA frequency?
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SSCHA
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Dear SSCHA developers,
Recently, I used the SSCHA code to minimize the dynamic matrix and to study the influence of qauntum effects on the system I concerned. After SSCHA minimisation, the log says the system is under 2.8 GPa, and the structure I used is fully relaxed without any pressure. Does it mean that the structure changed when the quantum effects are taken into account? How can I output the structure after SSCHA minimisation? Or is it just an auxiliary pressure value likes the SSCHA frequency?
Best & Regards!
Jianguo Si
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