Hi all,I have got the following error during SCF run:pw.x 007D4840 mp_global_mp_mp_s 79 mp_global.f90pw.x 00410D6E MAIN__ 23 pwscf.f90pw.x 00410CF6 Unknown Unknown Unknownlibc.so.6
Hi, I got the following two messages and could not run my job for Be. I am beginner for Quantum Espresso, so please help me by giving suggestion for correct input file and Qscript to run calculation. I am putting the input file and Qscript file for
Hi all,I am attaching here two files input and output for Be. Plz let me know where is the problem in control in input file? I hope for some corrections in my input file, especially in control.calculation = 'scf'outdir = './tmp/'prefix = 'be0001'forc_conv_thr = 1.0 D-3etot_conv_thr = 1.0
Hi All,I want to run scf calculations for Si given in QE manual example. I have put my input file, psuedopotential and Qscript as follows:Si-pw.in file: calcula6on = 'scf', prefix = 'Si_exc1', / ibrav = 2, celldm(1) = 10.26, nat = 2, ntyp = 1, ecutwfc = 20 / mixing_beta = 0.7 /