Dear QE users,<br>I am doing EPC calculation for supercell and I got error with q2r.x when I want to do q2r.x to bring force constants and el-phon coefficients (results from ph.x)  to real space. My supercell includes ibraiv =0, and I search somewhere in this forum, Dr. Stefano had stated this problem has solved already. 

<br>So anybody can help me to explain this error? (Is there any problem with a2Fq2r.* data??)<br>I attached the error <br> <br> /../espresso-3.2.3/bin/q2r.x <<a href="http://q2r.in">q2r.in</a>> q2r.out<br>forrtl: severe (59): list-directed I/O syntax error, unit 51, file /../a2Fq2r.51

<br>Image              PC                Routine            Line        Source             <br>q2r.x              00000000007AAE06  Unknown               Unknown  Unknown<br>q2r.x              00000000007AA002  Unknown               Unknown  Unknown

q2r.x              0000000000766026  Unknown               Unknown  Unknown q2r.x              0000000000722EBE  Unknown               Unknown  Unknown ..................... And I use K-points grid 1*1*40 in scf calculation and q-points grid 1*1*10.

<br>My scf Input: <br> &CONTROL<br>                 calculation = 'scf' ,<br>                restart_mode = 'from_scratch' ,<br>                      outdir = '/root/tmp' ,<br>                  pseudo_dir = '/usr/local/ESPRESSO_S/espresso-

3.2.3/pseudo/' ,<br>                      prefix = 'al4d_elph' ,<br> /<br> &SYSTEM<br>                       ibrav = 0,<br>                   celldm(1) = 40,<br>                         nat = 4,<br>                        ntyp = 1,

<br>                     ecutwfc = 25.D0 ,<br>                 occupations = 'smearing' ,<br>                     degauss = 0.05 ,<br>                    smearing = 'methfessel-paxton' ,<br>                      la2F = .true.

<br> /<br> &ELECTRONS<br>                    conv_thr = 1.D-10 ,<br>                 mixing_beta = 0.7D0 ,<br> /<br>CELL_PARAMETERS alat<br>   0.999310440   0.000000000   0.000000000<br>   0.000000000   0.999469296   

0.000001912<br>   0.000000000   0.000000438   0.228398270<br>ATOMIC_SPECIES<br>   Al   26.98000  Al.vbc.UPF<br>ATOMIC_POSITIONS angstrom<br>Al       0.000000000   2.292015084   1.208608723<br>Al       0.000000000  -0.051852693

  -0.000016750<br>Al       0.000000000  -0.051739937   2.417248391<br>Al       0.000000000   2.292076740   3.625876674<br>K_POINTS automatic<br>  1 1 40   0 0 0<br><br><br>I appreciated any help and suggest,<br><br>Bac<br>

<br>------------------------------<br>Phung Viet Bac<br>Division of Mathematical and Physical Science,<br>Graduate School of Natural Science and Technology,<br>Kanazawa University,<br>Kakuma, Kanazawa 920-1192, JAPAN<br><br>