Re: Absorption of black phosphorus with gw+BSE
Posted: Thu Mar 29, 2018 2:29 pm
Dera Thiansu,
unfortunately, the brew version of xcrsyden is not working anymore in MacOs, you can try try install it from MacPorts.
Vesta is a good alternative as it is free and it reads xsf file as xcrysden:
http://jp-minerals.org/vesta/en/download.html
With gnuplot you can plot 1D and 2D data, isosurfaces are not supported, so you need to plot integrated quantity:
Direction= "123" not allowed.
In order to use gnuplot you can have a look to the guide:
http://www.gnuplotting.org/plotting-data/
as basic plot for 1D:
for 2D
2D data can be also plotted as contour maps.
Best,
Daniele
unfortunately, the brew version of xcrsyden is not working anymore in MacOs, you can try try install it from MacPorts.
Vesta is a good alternative as it is free and it reads xsf file as xcrysden:
http://jp-minerals.org/vesta/en/download.html
With gnuplot you can plot 1D and 2D data, isosurfaces are not supported, so you need to plot integrated quantity:
Direction= "123" not allowed.
In order to use gnuplot you can have a look to the guide:
http://www.gnuplotting.org/plotting-data/
as basic plot for 1D:
Code: Select all
>gnuplot
plot "data" u 1:2 w lCode: Select all
splot "data" u 1:2:3 w lBest,
Daniele