Dear siesta users,
I have been trying to get pojected DOS or fatband analysis from siesta
generated output files SystemLabel.fullBZ.WFSX and SystemLabel.bands.WFSX
respectively. Whenever I run mprop or fat with the newly released
siesta-4.1, I get errors. For mprop, for instance, below is the erro
Dear all,
I met same error by siesta trunk 572, and there is no DM file. here is
my .fdf
SystemName H2O
SystemLabel H2O
NumberOfSpecies 2
NumberOfAtoms 3
%block ChemicalSpeciesLabel
11 H
28 O
%endblock ChemicalSpeciesLabel
LatticeConstant 1.0 Ang
%block LatticeVectors
6.
Dera Nick,
Thanks for your help. It works by adding .c and using latest SCALAPCK.
Regards,
Tao
On 2016-10-14 11:40, Nick Papior wrote:
Try add .c to the SUFFIXES list.
2016-10-14 12:32 GMT+02:00 T. Liu :
Dear all,
I can compile 4.0 with the following arch.make
arch.make
Try add .c to the SUFFIXES list.
2016-10-14 12:32 GMT+02:00 T. Liu :
> Dear all,
>
> I can compile 4.0 with the following arch.make
>
> arch.make
>
> #
> # Copyright (C) 1996-2016 The SIESTA group
> # This file is distributed under the terms of the
> # GNU G
Dear all,
I can compile 4.0 with the following arch.make
arch.make
#
# Copyright (C) 1996-2016 The SIESTA group
# This file is distributed under the terms of the
# GNU General Public License: see COPYING in the top directory
# or http://www.gnu.org/copyleft/
