Dear all,
When I set form=amulet in wannier input, the calculation provide hamilto.am and
system.am bot it did not provide wannier_bands.dat and original_bands.dat. How
to get wannier_bands.dat and original_bands.dat?
Thank you very much.
Riping Wang
2016.4.11
***
Dear Mr. Riping WANG,
to obtain wannier_bands.dat file one should set
plot_bands = .true.
in the input file for wannier_ham.x
2016-04-11 13:00 GMT+05:00 Wang Riping :
> Dear all,
>
>
> When I set form=amulet in wannier input, the calculation provide hamilto.am
> and system.am bot it did not prov
Hello all,
I keep getting a mysterious error when trying to use the option
'-pw2casino' on my nscf calculations in an attempt to obtain the
wavefunctions for my system. All other calculations run smoothly, it's
only when I use pw2casino that I get this error, which occurs
immediately after al
Hi,
Did anyone successfully compile qe-5.3.0 with libxc? I am trying to using
the tb09 functional which needs libxc library. I installed libxc-2.2.2 and
compiled qe by modified the make.sys by the following two lines:
DFLAGS = -D_LIBXC -D__INTEL -D__FFTW3 -D__MPI -D__PARA
$(MANUAL_DFL
Does it work for a simple 2-atom PbS cell? Paolo
Il 11/apr/2016 08:07 PM, "Henry J Seeley" ha scritto:
> Hello all,
>
> I keep getting a mysterious error when trying to use the option
> '-pw2casino' on my nscf calculations in an attempt to obtain the
> wavefunctions for my system. All other calcu
