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changejian新蟲 (小有名氣)
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[求助]
有效質(zhì)量m*的計(jì)算
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請(qǐng)問(wèn)一下在用VASPKIT計(jì)算得到了以下信息以后,那么m*是如何讀取的呢?要進(jìn)行H=hk/2m*的計(jì)算。 Effective-Mass is obtained by fitting a third order polynomial, which yields masses are less sensitive to the employed k-points. Band Index: LUMO = 127 HOMO = 126 Effective-Mass (in m0) Electron (Prec.) Hole (Prec.) K-Path Index 1: K->G 0.561 (0.3E-07) -0.453 (0.7E-07) K-Path Index 2: K->M 0.584 (0.5E-07) -0.431 (0.2E-07) |
至尊木蟲 (職業(yè)作家)
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