The ABINIT Users Mailing List ( CLOSED )

["Zhenyu Li" <zyli@sina.com>]

Dear Prof. Gonze

I am using ABINIT v4.2.3, and I get the following similar error. Is this 
a problem of the program or the way I use it?

 rdnpw : BUG -
  At k point number    5, with spin polarization 1,
  for wf file unit    21, the value of npw_disk=  8591
  disagrees with argument npw_k=  8647. IO problem.
  Action : contact ABINIT group.

>Dear Alexandra,
>
>Alexandra Friedrich wrote:
>> Dear ABINITioners,
>> 
>> when using ABINIT_v3.3.3 or ABINIT_v3.4.3 for DOS/Windows, I experienced 
>> some troubles with the ddk perturbation. When the first perturbation 
>> converged in tolwfr, a bug was reported and the program stopped. The bug 
>> reads:
>> 
>> At SCF step 45 max residual= 1.00E-22 < tolwfr= 1.00E-22 =>converged.
>> rdnpw : BUG -
>> At k point number 2, with spin polarization 1,
>> for wf file unit 13, the value of npwso_disk=******
>> disagrees with argument npw_k*nspinor= 7102. IO problem.
>> Action : contact ABINIT group.
>
>It might be that this problem has been corrected in v3.3.4 (modif 4.d6).
>Unfortunately, the binaries v3.3.4 are not available for DOS/Windows.
>On the other hand, v3.3.5 will soon be frozen, and the
>binaries for DOS/Windows will be made available. So, I suggest that
>you wait a bit (2 weeks ?), then test your system with v3.3.5 ...
>
>Good continuation,
>Xavier Gonze


Best Wishes

Zhenyu Li