[Pw_forum] Error in phonon calculation

[Eyvaz Isaev]

Dear Ali,

Possible reasons:
1. Compiler error - it seems, such kind error often happens with gfortran
2. Network problem
3. Corrupted data - try again.


I do not think the error is caused by your input file. Nevertheless, you can try 
also the option ldisp=.true. with nq1=N1,nq2=N2,nq3=N3 and start_q=1, last_q=1 
to calculate phonons at the Gamma point.  Just to note, 10^{-18} looks VERY 
strong (and time consumable) criteria for phonon convergence threshold. The 
default value thr2_ph=10^{-12}.  


Bests,
Eyvaz.
-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, 
Sweden 

Theoretical Physics Department, Moscow State Institute of Steel & Alloys, 
Russia, 

isaev at ifm.liu.se, eyvaz_isaev at yahoo.com




________________________________
From: Ali Tavana <tavana.ali at gmail.com>
To: pw_forum at pwscf.org
Sent: Thu, November 18, 2010 12:35:26 PM
Subject: [Pw_forum] Error in phonon calculation


Dear QE users,

When I want to calculate phonons for a q-point, I get this error running ph.x;

#######################################
# FROM IOTK LIBRARY, VERSION 1.2.0
# UNRECOVERABLE ERROR (ierr=1)
# ERROR IN: iotk_scan_dat_aux (iotk_dat.spp:664)
# CVS Revision: 1.27 
# ERROR IN: iotk_scan_dat (iotk_dat.spp:740)
# CVS Revision: 1.27 
# Error reading data
name=z.1          
rkind=8
rlen=-1
###################################################


Do u have any idea about it?

-- 
Ali Tavana
PhD Candidate,
Magnet Research Lab. (MRL)
Sharif University of Technology,
Tehran, Iran.
Tel: +98 21 6616 4544



      
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