<div dir="ltr"><div>Code version? If I remember correctly this was fixed 11 months ago:<br><a href="http://www.qe-forge.org/gf/project/q-e/scmsvn/?action=browse&path=%2F&view=rev&revision=11040">http://www.qe-forge.org/gf/project/q-e/scmsvn/?action=browse&path=%2F&view=rev&revision=11040</a><br><br></div>Paolo<br></div><div class="gmail_extra"><br><div class="gmail_quote">On Sat, May 16, 2015 at 9:18 AM, 高强 <span dir="ltr"><<a href="mailto:gaoq13@lzu.edu.cn" target="_blank">gaoq13@lzu.edu.cn</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear all<br>
I am using ph.x to do phonon calculations. But when I am doing calculations, the programme reported a problem.<br>
<br>
At line 104 of file ef_shift.f90 (unit = 6, file = 'stdout')<br>
Fortran runtime error: Expected REAL for item 3 in formatted transfer, got INTEGER<br>
(5x,"Pert. #",i3,": Fermi energy shift (Ry) =", 2es15.4)<br>
<br>
The <a href="http://scf.in" target="_blank">scf.in</a> file is as following:<br>
  &control<br>
    calculation='scf'<br>
    restart_mode='from_scratch',<br>
    prefix='si'<br>
    pseudo_dir = './',<br>
    outdir='./'<br>
 /<br>
 &SYSTEM<br>
                       ibrav = 4,<br>
                   celldm(1) = 8.0502333260928,<br>
                   celldm(3) = 4.6948356807512,<br>
                         nat = 7,<br>
                        ntyp = 2,<br>
                     ecutwfc = 30 ,<br>
                     ecutrho = 300 ,<br>
                 occupations = 'smearing' ,<br>
                     degauss = 0.02 ,<br>
                    smearing = 'gaussian' ,<br>
 /<br>
 &ELECTRONS<br>
                       diagonalization = 'david'<br>
                              conv_thr =  1.0d-8<br>
                           mixing_beta = 0.7 ,<br>
 /<br>
ATOMIC_SPECIES<br>
    C   12.01100  C.pbe-van_ak.UPF<br>
   Li    6.91400  Li.pbe-n-van.UPF<br>
ATOMIC_POSITIONS alat<br>
Li       0.000000000   0.000000000   0.458863123<br>
C        0.336574542  -0.000000000  -0.000000000<br>
C       -0.336574542  -0.000000000   0.000000000<br>
C        0.168287271   0.291482104  -0.000000000<br>
C        0.168287271  -0.291482104   0.000000000<br>
C       -0.168287271   0.291482104  -0.000000000<br>
C       -0.168287271  -0.291482104   0.000000000<br>
K_POINTS automatic<br>
  6 6 1   1 1 1<br>
<br>
<br>
<br>
Now is the <a href="http://elph.in" target="_blank">elph.in</a> file<br>
<br>
<br>
Electron-phonon coefficients for Al<br>
 &inputph<br>
  tr2_ph=1.0d-8,<br>
  prefix='si',<br>
  fildvscf='aldv',<br>
  amass(1)=6.91400,<br>
  amass(2)=12.01100,<br>
  outdir='./',<br>
  fildyn='al.dyn',<br>
  electron_phonon='interpolated',<br>
  el_ph_sigma=0.05,<br>
  el_ph_nsigma=10,<br>
  trans=.true.,<br>
  ldisp=.true.<br>
  nq1=3, nq2=3, nq3=1<br>
 /<br>
~<br>
~<br>
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</blockquote></div><br></div>