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[ÇóÖú] VASP+Phonopy-QHA ¼ÆËãÈÈÅòÕÍϵÊý

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ATOM_NAME = O Co
DIM = 2 2 2
MP = 10 10 10
FORCE_CONSTANTS = READ
TPROP = T
TMIN = 20
TMAX = 2000  
TSTEP = 20
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wangyikeco

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newbie

what material can stay up to 2000K?
2Â¥2023-01-19 01:11:33
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2Â¥: Originally posted by wangyikeco at 2023-01-19 01:11:33
what material can stay up to 2000K?

Heaps. e.g. metal oxides, ceramics. In my case, see "ATOM_NAME = O Co". That's not the point though!!
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3Â¥2023-01-19 01:22:50
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