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Atomic-orbital Based Ab-initio Computation at UStc
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kedf_xwm.h File Reference
#include "source_base/matrix.h"
#include "source_base/timer.h"
#include "source_basis/module_pw/pw_basis.h"
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Classes

class  KEDF_XWM
 A class which calculates the kinetic energy, potential, and stress with Xie-Wang-Morales (XWM) KEDF. See Xu Q, Wang Y, Ma Y. Physical Review B, 2019, 100(20): 205132. More...