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[abinit-forum] LDA plus U calculation

From: Annie Beya <annie_beya@yahoo.fr>
To: forum@abinit.org
Subject: [abinit-forum] LDA plus U calculation
Date: Tue, 25 Aug 2009 12:28:51 +0000 (GMT)
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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

Attachment: log
Description: Binary data

[abinit-forum] LDA plus U calculation, Annie Beya, 08/25/2009
- Re: [abinit-forum] LDA plus U calculation, Emmanuel Arras, 08/25/2009
  - Re: [abinit-forum] LDA plus U calculation, Annie Beya, 08/26/2009