[Pw_forum] vc-relax and error in routine davcio

[Juliana Morbec]

Dear All.

I was performing a vc-relax calculation with an extra electron
(tot_charge=-1) and PBE+U.
The calculation went well until the final scf calculation, when it crashed
with

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     Error in routine davcio (10):

     error while reading from file

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


Does someone have any idea what could be the problem here? I am using the
version 5.0.2. I have attached here the input file, and the initial and
final parts of the output file (because the file is huge).

I don't believe it is a quota problem since I have 7000 GB of space.


I will really appreciate any help.


Best wishes,

Juliana M. Morbec, Ph.D.
Postdoctoral Researcher
Institute for Molecular Engineering, The University of Chicago
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20141107/a5cbbbd4/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: final-output.out
Type: application/octet-stream
Size: 159066 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20141107/a5cbbbd4/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: initial-output.out
Type: application/octet-stream
Size: 52676 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20141107/a5cbbbd4/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: input.in
Type: application/octet-stream
Size: 8591 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20141107/a5cbbbd4/attachment-0002.obj>