The ABINIT Users Mailing List ( CLOSED )

[Emmanuel Arras <emmanuel.arras@cea.fr>]

I'd say you just lack a line at the end of your pseudo-potential file. Juste go to the end of Ni.atompaw.lda.paw and press "ENTER" (add one line). That should do it.

Emmanuel


Annie Beya a écrit :

509965.3007.qm@web25501.mail.ukl.yahoo.com" type="cite">

Dear users,


I am trying to run the tutorial on LDA+U, but the program stops after a few seconds.
I could not find the atom paw file "Psps_for_tests/ni_atompaw.paw". So I am using this one provided in abinit web site : "Ni.atompaw.lda.paw".
The output file compares well with the reference file, but it is stopped at line number 184. When I open the log file I have this message "At line 646 of file psp7in.F90 (unit = 9, file = 'Ni.atompaw.lda.paw')
Fortran runtime error: End of file"

I am using Version 5.7.4  of ABINIT (sequential version, prepared for a i686_linux_gnu4..3 computer)
system is Opensuse 11.0

I have attached the related log file.


With best regards,

Annie Beya

-- 
Emmanuel ARRAS
L_Sim (Laboratoire de Simulation Atomistique)
SP2M / INAC
CEA Grenoble
tel : 00 33 (0)4 387 86862