[Pw_forum] Error in davcio running pw4gww

Valentina Cantatore valecantatore at gmail.com
Fri Oct 10 12:13:32 CEST 2014


Dear QE users,

I'm trying to get used with gw calculations and I'm running test with a
small, nonperiodic system. According to the manual I need to run first of
all a scf calculation followed by a pw4gww run.

The pw4gww run stops early giving error:
"Error in routine davcio (99):
error while reading from file "../.._whole50""

Can you give me some hints about this problem? I attach my two inputs files.

Thank you very much.

Valentina Cantatore
PostDoc at Università del Piemonte Orientale, Alessandria
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20141010/2ca762b6/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: PbI2_20_pw4gww.inp
Type: application/octet-stream
Size: 160 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20141010/2ca762b6/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: PbI2_20_scf.inp
Type: application/octet-stream
Size: 643 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20141010/2ca762b6/attachment-0001.obj>


More information about the users mailing list