Dear all quantum users and experts,
I'm trying to run an scf calculation on a zeolite but I'm not successful
because I keep getting the following error on my terminal which I don't know
what it is:
At line 136 of file read_cards.f90
Fortran runtime error: End of file
Here is my input file just in case you might need to take a look at:
&control
calculation='scf'
restart_mode='from_scratch'
prefix='SOD'
tstress=.true.
tprnfor=.true.
pseudo_dir='/global/espresso/pseudo/'
outdir='./scratch/'
verbosity='high'
etot_conv_thr=1e-8
forc_conv_thr=1e-7
wf_collect=.true.
/
&system
ibrav=0
nat=36
ntyp=2
ecutwfc=30
ecutrho=300
nbnd=100
/
&electrons
diagonalization='cg'
mixing_mode='plain'
mixing_beta=0.7
conv_thr=1e-10
/
ATOMIC_SPECIES
Si 28.086 Si.pbe-n-rrkjus_psl.0.1.UPF
O 15.9994 O.pbe-n-rrkjus_psl.0.1.UPF
ATOMIC_POSITIONS bohr
O 4.223852 10.209245 16.553687
O 12.694549 1.738548 8.082990
O 16.194639 10.209245 16.553687
O 7.723942 1.738548 8.082990
O 16.194639 10.209245 4.582900
O 7.723942 1.738548 13.053597
O 4.223852 10.209245 4.582900
O 12.694549 1.738548 13.053597
O 16.194639 4.223852 10.568293
O 7.723942 12.694549 19.038991
O 16.194639 16.194639 10.568293
O 7.723942 7.723942 2.097596
O 4.223852 16.194639 10.568293
O 12.694549 7.723942 2.097596
O 4.223852 4.223852 10.568293
O 12.694549 12.694549 2.097596
O 10.209245 16.194639 4.582900
O 1.738548 7.723942 13.053597
O 10.209245 16.194639 16.553687
O 1.738548 7.723942 8.082990
O 10.209245 4.223852 16.553687
O 1.738548 12.694549 8.082990
O 10.209245 4.223852 4.582900
O 1.738548 12.694549 13.053597
Si 5.973897 10.209245 19.038991
Si 14.444594 1.738548 10.568293
Si 14.444594 10.209245 2.097596
Si 5.973897 1.738548 10.568293
Si 1.738548 5.973897 10.568293
Si 10.209245 14.444594 19.038991
Si 1.738548 14.444594 10.568293
Si 10.209245 5.973897 2.097596
Si 10.209245 1.738548 6.332945
Si 1.738548 10.209245 14.803642
Si 10.209245 1.738548 14.803642
Si 1.738548 10.209245 6.332945
K_POINTS {automatic}
9 9 9 0 0 0
CELL_PARAMETERS angstrom
8.848 0.000 0.000
0.000 8.848 0.000
0.000 0.000 8.848
Best,
Amir M. Mofrad
University of Missouri
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