[Pw_forum] Getting_an_Error

[Mofrad, Amir Mehdi (MU-Student)]

I didn't quite understand what you said. I cut the content of my file and pasted it to another file. However, when I run it, it gives me the same error.


Amir M. Mofrad

University of Missouri


________________________________
From: pw_forum-bounces at pwscf.org <pw_forum-bounces at pwscf.org> on behalf of Paolo Giannozzi <p.giannozzi at gmail.com>
Sent: Friday, November 20, 2015 1:42 PM
To: PWSCF Forum
Subject: Re: [Pw_forum] Getting_an_Error

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<mailto: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

_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org<mailto:Pw_forum at pwscf.org>
http://pwscf.org/mailman/listinfo/pw_forum



--
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216<tel:%2B39-0432-558216>, fax +39-0432-558222<tel:%2B39-0432-558222>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20151120/2ca78256/attachment.html>