The ABINIT Users Mailing List ( CLOSED )

[<yongliu.yl@gmail.com>]

Dear abinitors,
 
When I want to calculate the elastic constants of aluminium using telast_6
files, an unexpected error occurs. I can not use parameters elaflag 3 and
instrflag 1 to generate the relaxed- and clamped-ion elastic values. It stops
unexpectedly with a comment "** On entry to ZHPEV  parameter number  7 had an
illegal value". But when I set elaflag 1 and instrflag 0, it works well. I
believe I have set rfatpol and rfdir to do a full calculation at Q=0 point. I
have no idea what's wrong with it. Please find the input and output files in
the attachment. Thank you in advance.
 
Sincerely,
Yong