[Pw_forum] Error while ESM calculation

[Olga Sedelnikova]

Dear forum's members,
I checked the example about the ESM_calculation of H2O. It is an example of
the QE program (ESM_example).
FIrst of all I did scf calculation for H2O with no ESM (file H2O.noesm.in).
Calculation was succesfull. After that I tried to run the scf calculation
for H2O with esm pb1 (vacuum-slab-vacuum. file H2O.bc1.in). I was suprised
but execution was aborted.
Maybe someone faced the same difficulty in ESM calculating?
The *.in and *.out files are attached.


--
Best wishes,
Olga Sedelnikova
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20131112/90cdae10/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: H2O.noesm.in
Type: application/octet-stream
Size: 755 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20131112/90cdae10/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: H2O.noesm.in.out
Type: application/octet-stream
Size: 21916 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20131112/90cdae10/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: H2O.pbc1.in
Type: application/octet-stream
Size: 754 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20131112/90cdae10/attachment-0002.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: H2O.pbc1.in.out
Type: application/octet-stream
Size: 6002 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20131112/90cdae10/attachment-0003.obj>