Dear all,<br>I try to optimization Au13 with the norm-conserving pseudo-potential.<br>At the step 18, there is error<br> "forrtl: severe (67): input statement requires too much data, unit 16, file /home/gaomin/PWscf/outdir/iso0-free.igk2<br>
Image PC Routine Line Source <br>pw.x 00000000009AA73D Unknown Unknown Unknown<br>pw.x 00000000009A9245 Unknown Unknown Unknown<br>
pw.x 0000000000941C09 Unknown Unknown Unknown<br>pw.x 00000000008DA91D Unknown Unknown Unknown<br>pw.x 00000000008DA16A Unknown Unknown Unknown<br>
pw.x 0000000000900107 Unknown Unknown Unknown<br>pw.x 00000000008FDDEA Unknown Unknown Unknown<br>pw.x 0000000000536B61 c_bands_ 91 c_bands.f90<br>
pw.x 0000000000444EEA electrons_ 272 electrons.f90<br>pw.x 0000000000406121 MAIN__ 92 pwscf.f90<br>pw.x 0000000000405F7C Unknown forrtl: severe (67): input statement requires too much data, unit 16, file /home/gaomin/PWscf/outdir/iso0-free.igk4<br>
Image PC Routine Line Source<br>pw.x 00000000009AA73D Unknown Unknown Unknown<br>pw.x 00000000009A9245 Unknown Unknown Unknown<br>
pw.x 0000000000941C09 Unknown Unknown Unknown<br>pw.x 00000000008DA91D Unknown Unknown Unknown<br>pw.x 00000000008DA16A Unknown Unknown Unknown<br>
pw.x 0000000000900107 Unknown Unknown Unknown<br>pw.x 00000000008FDDEA Unknown Unknown Unknown<br>pw.x 0000000000536B61 c_bands_ 91 c_bands.f90<br>
pw.x 0000000000444EEA electrons_ 272 electrons.f90<br>pw.x 0000000000406121 MAIN__ 92 pwscf.f90<br>pw.x 0000000000405F7C Unknown Unknown Unknown<br>
libc.so.6 000000336601D8B4 Unknown Unknown Unknown<br>pw.x 0000000000405E89 Unknown Unknown Unknown<br> Unknown Unknown<br>libc.so.6 000000336601D8B4 Unknown Unknown Unknown<br>
pw.x 0000000000405E89 Unknown Unknown Unknown<br>"<br>what kind of mistake can cause this error, could you give me some tips.<br>I also put the input here "/<br>&SYSTEM<br> ibrav = 0,<br>
celldm(1) = 1.D0,<br> nat = 13,<br> ntyp = 1,<br> ecutwfc = 40.0D0,<br> ecutrho = 160.0D0,<br> nspin = 2,<br> occupations ='smearing',<br>
smearing ='marzari-vanderbilt',<br> degauss =0.05 ,<br> starting_magnetization (1) = 0.0,<br>/<br>&ELECTRONS<br> conv_thr = 1.0D-7,<br> mixing_beta = 0.1D0,<br> electron_maxstep = 800,<br>
diagonalization = "cg"<br>/<br>&IONS<br> ds = 1.D-8,<br> ion_dynamics = "bfgs",<br> bfgs_ndim = 3,<br>/<br>ATOMIC_SPECIES<br>Au 196.96655 Au.UPF<br>ATOMIC_POSITIONS { angstrom }<br>
Au 0.39451550 0.29101807 -0.01848388<br> Au 0.36978342 -2.46363059 0.01426611<br> Au -3.81426759 -3.77141705 5.81951444<br> Au -1.02666807 -1.03984004 1.94923625<br> Au -0.98003083 1.73499813 1.88476660<br>
Au -0.99550379 -3.88019265 1.90581739<br> Au -1.12764716 4.43678528 2.09149280<br> Au -2.48256690 3.07636719 3.96306526<br> Au -2.42354338 0.31415766 3.88278451<br> Au -2.40279984 -2.42709678 3.85688771<br>
Au -3.85230093 -1.04948331 5.86498215<br> Au -3.85402222 1.71997907 5.86080078<br> Au -2.41748862 -5.18993258 3.87674930<br>K_POINTS {Gamma}<br>CELL_PARAMETERS { cubic }<br> 25.00000 0.00000 0.00000<br>
0.00000 25.00000 0.00000<br> 0.00000 0.00000 25.00000<br>"<br>