[Q-e-developers] LGIPAW_RECONSTRUCTION not working on 5.1

[Davide Ceresoli]

Dear Rogerio,
     right, in fact I've never used the standard 5.1 version, but my own
hacked version. Edit ld1_readin.f90, and around line 390 look for:
  	lgipaw_reconstruction = .true.
         use_paw_as_gipaw = .true.
and change the second line to .false.

Right now I can't commit the change, I'm out of office.

Best,
     Davide



On 08/18/2014 04:46 PM, Rogerio wrote:
> Atomic package in QE 5.1 cannot calculate LGIPAW_RECONSTRUCTION, it
> simply ignores the variable.
> I tried many times to calculate the PP with no results, then I tried on
> ld1.x of the 5.0.3 version and it
> worked perfectly.
>
> Best,
>
>    Rogerio Gouvea