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xiaoqiu007

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reading grid info from file c225.dyn0
  reading force constants from file c225.dyn1
  Dielectric Tensor not found
  nqs=            1
q=   0.00000000  0.00000000  0.00000000
  reading force constants from file c225.dyn2
  nqs=            3
q=   0.50000000 -0.50000000  0.50000000
q=   0.50000000  0.50000000 -0.50000000
q=  -0.50000000 -0.50000000 -0.50000000
  reading force constants from file c225.dyn3
  nqs=            6
q=   0.25000000  0.25000000  0.25000000
q=  -0.25000000 -0.25000000  0.25000000
q=  -0.25000000 -0.25000000 -0.25000000
q=  -0.25000000  0.25000000 -0.25000000

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from init : error #         1
     q not allowed
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
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gemucai

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l¨¦on_WANG

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DO nq = 1,nqs WRITE(6,'(a,3f12.8)') ' q= ',(q(i,nq),i=1,3) lq = .TRUE. DO ipol=1,3 xq = 0.0d0 DO icar=1,3 xq = xq + at(icar,ipol) * q(icar,nq) * nr(ipol) END DO lq = lq .AND. (ABS(NINT(xq) - xq) .LT. eps) iq = NINT(xq) ! m(ipol)= MOD(iq,nr(ipol)) + 1 IF (m(ipol) .LT. 1) m(ipol) = m(ipol) + nr(ipol) END DO IF (.NOT.lq) CALL errore('init','q not allowed',1)
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