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专业: 半导体材料

[求助] 用electron_phonon = 'epa'运行ph.x，报错了请问怎么解决谢谢已有1人参与

这是我的ph.in
PbSnSe
&inputph
prefix = 'PbSnSe'
outdir = '../tmp/'
reduce_io = .false.
tr2_ph = 1.0d-14
trans = .true.
fildyn = 'PbSnSe.dyn'
fildvscf = 'dvscf'
electron_phonon = 'epa'
ldisp = .true.
epsil = .true.
nq1 = 6
nq2 = 6
nq3 = 1
这是ph.out里面报错的信息
negative rho (up, down):  1.652E-02 0.000E+00
   Reading collected, re-writing distributed wavefunctions

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
   Error in routine phq_readin (1):
   Electron-phonon only for metals
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

   stopping ...

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
   Error in routine phq_readin (1):
   Electron-phonon only for metals
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

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