&control calculation= 'relax' restart_mode= 'from_scratch', prefix= 'c60', pseudo_dir = '/home/annetindele/Documents/espresso-4.3.1/pseudo/', outdir='/home/annetindele/tmp/' dt=20, nstep=100, disk_io='high' / &system ibrav= 1 , celldm(1) = 30, nat= 60, ntyp= 1, ecutwfc =50.0, / &electrons electron_maxstep= 100 mixing_beta = 0.7 conv_thr = 1.0d-5 / ATOMIC_SPECIES C 12.0107 C.pz-vbc.UPF ATOMIC_POSITIONS {bohr} C 0.726656 -1.000157 3.300459 C 1.175755 0.382026 3.300459 C 1.410183 -1.940951 2.581756 C 2.281725 0.741377 2.581756 C 2.281725 1.977639 1.817704 C 0.000000 1.236262 3.300459 C 0.000000 2.399147 2.581756 C 1.175755 2.781173 1.817704 C -0.683527 -2.941108 1.817704 C -1.410183 -1.940951 2.581756 C 0.683527 -2.941108 1.817704 C -0.726656 -1.000157 3.300459 C -1.175755 0.382026 3.300459 C -2.585938 -1.558925 1.817704 C -3.008381 -0.258779 1.817704 C -2.281725 0.741377 2.581756 C 0.726656 -3.399304 -0.581443 C -0.726656 -3.399304 -0.581443 C 1.410183 -3.177213 0.581443 C -1.410183 -3.177213 0.581443 C -2.585938 -2.322977 0.581443 C -1.175755 -2.781173 -1.817704 C -2.281725 -1.977639 -1.817704 C -3.008381 -1.741534 -0.581443 C 3.008381 -1.741534 -0.581443 C 2.281725 -1.977639 -1.817704 C 2.585938 -2.322977 0.581443 C 1.175755 -2.781173 -1.817704 C 0.000000 -2.399147 -2.581756 C 2.281725 -0.741377 -2.581756 C 1.175755 -0.382026 -3.300459 C 0.000000 -1.236262 -3.300459 C 3.008381 -0.258779 1.817704 C 3.457479 0.359351 0.581443 C 2.585938 -1.558925 1.817704 C 3.457479 -0.359351 -0.581443 C 3.008381 0.258779 -1.817704 C 3.008381 1.741534 0.581443 C 2.585938 2.322977 -0.581443 C 2.585938 1.558925 -1.817704 C -0.726656 1.000157 -3.300459 C 0.726656 1.000157 -3.300459 C 1.410183 1.940951 -2.581756 C -1.410183 1.940951 -2.581756 C -3.008381 0.258779 -1.817704 C -2.281725 -0.741377 -2.581756 C -1.175755 -0.382026 -3.300459 C -2.585938 1.558925 -1.817704 C -3.008381 1.741534 0.581443 C -3.457479 0.359351 0.581443 C -3.457479 -0.359351 -0.581443 C -2.585938 2.322977 -0.581443 C -0.726656 3.399304 0.581443 C -1.175755 2.781173 1.817704 C -2.281725 1.977639 1.817704 C -1.410183 3.177213 -0.581443 C 0.683527 2.941108 -1.817704 C 1.410183 3.177213 -0.581443 C 0.726656 3.399304 0.581443 C -0.683527 2.941108 -1.817704 K_POINTS {Gamma}