If you need ways to plot using python you should look up matplotlib and use that package. Is has many capabilities which is similar to MatLABs plotting functions and is the de-facto standard within the python community to plot.
However, if you need help with this package I suggest you find help elsewhere, but you could probably help others by re-posting your findings here. Kind regards Nick 2013/8/17 mohammad mahdi Tavakoli <[email protected]> > Dear nick > > Thanks a lot for your great help. I solved this problem. But I have a > question: > To plot my data: Can you introduce me some ways such as using python. > > Regards. > > > On Fri, Aug 16, 2013 at 3:21 PM, Nick Papior Andersen < > [email protected]> wrote: > >> Dear mohammad, >> >> Commands in any linux system are only searched in directories which are >> in the PATH environment variable >> Hence if PATH=/usr/local/bin >> ONLY executable files in /usr/local/bin can be executed in arbitrary >> folders. >> If you haven't read this before (or didn't know it), I would suggest you >> read up on how unix systems finds its commands. >> >> You can either >> a) generate your own folder for executables >> b) move your compiled gnubands to a folder which is in PATH >> >> I would recommend you do this (option a): >> This assumes you use bash (if you use csh switch to bash/zsh or something >> else, *my recommendation*): >> ### >> mkdir ~/.bin >> cd <compilation directory of gnubands> >> cp gnubands ~/.bin/ >> chmod a+x ~/.bin/gnubands >> echo "[ -d \$HOME/.bin ] && export PATH=\$HOME/.bin:\$PATH" >> ~/.bashrc >> ## >> >> the above works provided you don't have any spaces in PATH or in HOME >> envs. >> >> Kind regards Nick >> >> >> 2013/8/16 mohammad mahdi Tavakoli <[email protected]> >> >>> Dear Abraham >>> >>> I did your comments but >>> If i use this command only:(gnubands < QD.bands> QD_ bands.dat) this >>> error is appeared: >>> gnubands: command not found >>> should i use any compiler such as gfortran before gnubands or not? >>> if i use mpirun before gnubands, this error is appeared: >>> mpirun noticed that process rank 0 with PID 15994 on node >>> mahdi-System-Product-Name exited on signal 9 (Killed). >>> >>> Regards. >>> >>> >>> On Fri, Aug 16, 2013 at 5:14 AM, Abraham Hmiel <[email protected]>wrote: >>> >>>> Mohammad, >>>> >>>> First, you don't need mpirun to run gnubands. The program only takes a >>>> few moments to run, even with very large systems and there is no >>>> parallelization implemented. It just reshapes the band structure arrays >>>> into something more easily plotted. Just use: >>>> >>>> $ gnubands < QD.bands > QD_bands.dat >>>> >>>> Second, if you navigate to the directory where gnubands.f lies and open >>>> gnubands.f with your favorite file editor, you will see that there are some >>>> maximum limits that can halt the program. (the line -> if(overflow) >>>> stop...) Adjusting, for example, maxb upwards to a higher value (perhaps a >>>> MUCH higher value) where it is originally declared as 100, then recompiling >>>> gnubands, will fix your issue with the program. Likewise, if you continue >>>> to obtain the same error, perhaps you have breached the maxk limit for the >>>> number of k-points in your plot. >>>> >>>> Friendly regards, >>>> >>>> -- >>>> *Abraham Hmiel* >>>> Katherine Belz Groves Fellow in Nanoscience >>>> Xue Group, College of Nanoscale Science and Engineering at SUNY Albany >>>> http://abehmiel.net/about >>>> >>>> >>> >> >
