I hadn't noticed that you need GIPAW reconstruction info.
If so, you will need to generate one. Unfortunately Mn is
a tough guy. Good luck.
Paolo
On Wed, 2014-11-12 at 11:00 +, roberta pigliapochi wrote:
> Dear Paolo,
>
> Thank you very much for the quick reply and I'm sorry for being
>
Dear Wenzhong,
you are probably using an old python. Try 2.4.x or later, it should work.
F
> On Nov 12, 2014, at 12:53 PM, wz30...@mail.ustc.edu.cn wrote:
>
>
> Hi all,
> > I tried to install QE-GPU with the guide file but error happened like
> > this:
> > Traceback (most recent call last):
>
Hi all,
> I tried to install QE-GPU with the guide file but error happened like
> this:
> Traceback (most recent call last):
>
> File "./GPU/scripts/addPhigemmSymbs.py", line 69, in ?
>
> exit()
>
> TypeError: 'str' object is not callable
>
> So what should I do?
Best,
Wenzhong
--
Dear Paolo,
Thank you very much for the quick reply and I'm sorry for being stubborn
but to me those two PPs don't seem to have the GIPAW reconstruction. Am I
talking nonsense?
Thank you again.
Roberta
Roberta Pigliapochi
PhD Student | Grey Research Group
University of Cambridge
On 12 November
Dear All,
deep apologies for the spam.
I am calculating hyperfine and g- tensors of some paramagnetic solids with
qE 5.0.3 and I'd really appreciate some help.
Does anyone by any chance have a Norm-Conserving PseudoPotential (possibly
PBE) with the GIPAW reconstruction for Mn? I've been trying to
