[Pw_forum] Getting_an_Error

[Paolo Giannozzi]

Unexplained input errors are often a consequence of strange characters or
of  the presence of ^M characters in the file. Your input (taken with a cut
and paste) works for me

Paolo

On Fri, Nov 20, 2015 at 7:50 PM, Mofrad, Amir Mehdi (MU-Student) <
amzf5 at mail.missouri.edu> wrote:

> 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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>



-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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