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>>> Department für Geo- und Umweltwissenschaften
>>> Mün
muenchen.de>
>> skypename: ronaldcohen
>>
>>
>>> On 24 Oct 2017, at 11:27, Bogdan Yavorskyy
>>> <bogdan.yavors...@lrz.uni-muenchen.de
>>> <mailto:bogdan.yavors...@lrz.uni-muenchen.de>> wrote:
>>>
>>>
>>&g
uni-muenchen.de>
>> skypename: ronaldcohen
>>
>>
>>> On 24 Oct 2017, at 11:27, Bogdan Yavorskyy
>>> <bogdan.yavors...@lrz.uni-muenchen.de
>>> <mailto:bogdan.yavors...@lrz.uni-muenchen.de>> wrote:
>>>
>>>
>>&g
Umweltwissenschaften
> München
> 80333
> Deutschland
>
> office: +49 089 2180 4294 <+49%2089%2021804294>
> ronald.co...@min.uni-muenchen.de
> skypename: ronaldcohen
>
>
> On 24 Oct 2017, at 11:27, Bogdan Yavorskyy <bogdan.yavors...@lrz.uni-
> muenchen.d
wrote:
>>
>>
>>
>>> Begin forwarded message:
>>>
>>> From: Paolo Giannozzi <p.gianno...@gmail.com <mailto:p.gianno...@gmail.com>>
>>> Subject: Re: [Pw_forum] vc-relax + vdW-DF2. PWSCF v.6.1
>>> Date: 24 October 2017 at
In the 6.2 version, it is possible to use the "spin-balanced" approach,
setting the -D__SPIN_BALANCED precompilation flag at compile time. This
allows to compute the stress. Some explanation by Per Hyldgaard:
"There is an Occam's razor argument for keeping the full spin vdW-DF
formulation (from
Dear Developers,
in the PWSCF code v.6.1 the possibility to relax cell parameters (vc-relax)
together with van der Waals functional, input_dft=' vdW-DF2’
for magnetic systems (nspin=2) is not implemented. While this option is highly
desirable for my research, I would kindly ask You if You are
Dear Developers,
in the PWSCF code v.6.1 the possibility to relax cell parameters (vc-relax)
together with van der Waals functional, input_dft=' vdW-DF2’ is not
implemented. While this option is highly desirable for my research, I would
kindly ask You if You are going to include this
