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<P><FONT SIZE=2>Hi,<BR>
<BR>
I am not getting my output . My input file is given below. I have kept the kinetic energy cut of for the wavefunction (ecutwfc) as 35Ry. Can you please tell me.<BR>
&CONTROL<BR>
calculation ='relax'<BR>
restart_mode = 'from_scratch'<BR>
outdir = '/sfiwork/dsharma/silane/wfc4'<BR>
pseudo_dir = '/sfiwork/dsharma/QE_Pseudos/'<BR>
prefix = '5'<BR>
tstress = .false.<BR>
tprnfor = .true.<BR>
etot_conv_thr = 1.D-4<BR>
forc_conv_thr = 1.D-3<BR>
nstep = 600<BR>
/<BR>
&SYSTEM<BR>
ibrav = 0<BR>
celldm(1) =7.1516<BR>
nat = 6<BR>
ntyp = 2<BR>
ecutwfc = 35.0<BR>
ecutrho = 100.0<BR>
nbnd = 10<BR>
/<BR>
&ELECTRONS<BR>
diagonalization ='david'<BR>
mixing_mode = 'plain'<BR>
conv_thr = 1.0d-1<BR>
mixing_beta = 0.7<BR>
/<BR>
&IONS<BR>
/<BR>
&CELL<BR>
cell_dynamics='none'<BR>
<BR>
/<BR>
CELL_PARAMETERS cubic<BR>
1.000000000 0.000000000 0.000000000<BR>
0.000000000 2.000000000 0.000000000<BR>
0.000000000 0.000000000 2.000000000<BR>
ATOMIC_SPECIES<BR>
Si 28.08600 Si.pz-vbc.UPF<BR>
H 1.00800 H.pz-vbc.UPF<BR>
ATOMIC_POSITIONS angstroms<BR>
Si 2.95020 -0.66592 -0.12341<BR>
Si 4.90939 0.61749 0.11358<BR>
H 5.11746 1.46255 -1.09398<BR>
H 4.69823 1.55915 1.25968<BR>
H 2.84169 -1.61779 1.02344<BR>
H 3.00948 -1.48841 -1.36525<BR>
K_POINTS automatic<BR>
4 1 1 0 0 0<BR>
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