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pwscf不能使用超软赝势计算raman
穆跃文 2012-5-7 10:49
PHonon can be used whenever PWscf can be used, with the exceptions of DFT+U, nonlocal VdW and hybrid functionals. USPP and PAW are not implemented for higher-order response calculations. On Dec 7, 2009, at 24:01 , damien wrote: I wanted to know if, in a nea ...
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