[Pw_forum] problem of calculation of phonon

Zhenyu Li zyli at sina.com
Fri Dec 12 16:18:27 CET 2003


Dear PWSCF users

	When doing phonon calculation, I got no problem for some q points, but I got 
the following error for some other q points:
----Cut from out file------------------------------------
     Representation # 23 mode #  23
  IOS =           36

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from davcio : error #        21
     i/o error in davcio
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

It's strange that this error only exist for some specific q points. Can anybody
give some suggestion?

Sincerely
Zhenyu




More information about the users mailing list