Sorry, it is not clear to me what you are asking.
As far as I know, BoltzTrap and the new BoltzTrap2 are 'serial' programs.
By "implement parallel BoltzTrap", are you asking about how to use the
WIEN2k parallel output from an scf calculation (run[sp]_lapw -p) with
BoltzTrap?
There is current
I'd like to join this inquiry, with specifics on how to implement parallel
BoltzTrap and whether a link to graphic (ps ?) could be mads available.
With thanks,
Kamil
On Sat, Oct 28, 2017 at 10:15 PM, Gavin Abo wrote:
> All,
>
> Just curious, has anyone heard if the new BoltzTraP2 package will
Thank you Lyudmila for you comment
As a last step I need from all of you to show me how to get the AFMIII
structure from the these two links and the following non magnetic structure
of NiS-MnP (orthorhombic):
https://ibb.co/nt2nFm
https://ibb.co/mqySFm
NiS-MnP
P LATTICE,NONEQUIV.ATOMS: 2
> 29.10.2017, 1:20 +04:00 from Gavin Abo :
> The problem I see with this is that WIEN2k only allows the up and dn to
> be defined in the +z direction and -z direction (or along c axis),
> respectively.
A small comment to the exhaustive answer of Gavin: as far as I understand,
there are no depen
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