<div>Hi, Paolo</div>
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<div>Thank you for such fast reply. The line 356 fo q2r.f90 is " READ(filea2F,*) deg, ef, dosscf"</div>
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<div>I have checked the file 'a2Fq2r.51' and it seems to be all right. The first lines of the file is: </div>
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<div>5.000000000000000E-003 -0.107770458638552 8.08004901171817<br> 1</div>
<div> Dynamical Matrix in cartesian axes</div>
<div> q = ( 0.000000000 0.000000000 0.000000000 )</div>
<div> 1 1<br> 1.62795683 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000<br> 0.00000000 0.00000000 1.62795683 0.00000000 0.00000000 0.00000000<br> 0.00000000 0.00000000 0.00000000 0.00000000 1.05310588 0.00000000<br>
1 2<br> -3.01515344 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000<br> 0.00000000 0.00000000 -3.01515344 0.00000000 0.00000000 0.00000000<br> 0.00000000 0.00000000 0.00000000 0.00000000 1.27442418 0.00000000<br>
1 3<br> 1.38764451 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000<br> 0.00000000 0.00000000 1.38764451 0.00000000 0.00000000 0.00000000<br> 0.00000000 0.00000000 0.00000000 0.00000000 -2.33154662 0.00000000</div>
<div>.......... ..........</div>
<div>.......... ..........</div>
<div>........... ..........</div>
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<div>The odd thing is that all goes well when I prefromed the same calculation with more coarse parameters(less K points in scf calculation and small Q in el-phon calculation).</div>
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<div>I am very bemused....</div>
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<div>Yan Jiaxu<br> <br>School of Physical and Mathematical Sciences<br> <br>Nanyang Technological University, Singapore </div>
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<div>On Sep 12, 2010, at 8:45 , jiaxu yan wrote:</div>
<p>> The error message appears:'At line 356 of file q2r.f90<br>> Fortran runtime error: Bad real number in item 1 of list input'<br>> Could you tell me why?</p>
<div>the code already told you why (expecting a real number<br>as first item in a line, found something else) and where<br>(line 356 fo q2r.f90). You should look atline 356 of q2r.f90,<br>understand which file is read there and which line does not</div>
<div>look good</div>
<p>P.<br>---<br>Paolo Giannozzi, Dept of Physics, University of Udine<br>via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222</p>