Dear, I have checked Si.EIG is correct and I have plotted dos. the problem is in your eig2dos executable. so you may now again make eig2dos.
With regards Dr U S Sharma RJIT, BSF Tekanpur Gwalior On Thu, May 2, 2013 at 9:01 PM, Nick Papior Andersen <[email protected]>wrote: > Please, be consistent in your work-through and do not mix different > versions of eig2dos/Eig2DOS. > > And Jafar, do not start multiple threads about the same issue. It will > only make matters worse and it will not be easy to figure out what you are > actually doing. > > Here is what confuses people: There are two versions of Eig2DOS! > > Pre siesta-3.2 (eig2dos.f), lets call this "old". > Post (incl.) siesta-3.2 (Eig2DOS.f90), lets call this "new". > > In the "old" you should pipe into the file, i.e. > eig2dos < Si.EIG > Si.DOS > > In the "new" version you should NOT pipe into the file! I.e. > Eig2DOS Si.EIG > > Although you previously state that you use siesta 3.1, you are actually > using Eig2DOS.f90 (which is released with the 3.2 version). Why do I know > that? It is the only version which has a fully functional help menu. > Hence you should use the "new" way of handling the Eig2DOS. > > In your last case you cannot find the executable then you have either: 1) > put your executable in an incorrect place, or 2) called it erroneously > (this was also your problem in the previous thread, so maybe you should > reread that, because it was solved). > Please read this: http://www.linfo.org/path_env_var.html > to get an understanding of how unix works. > > Please figure out where your nix system searches for executables. > If your are EVER to call an executable by: ./"executable name" > then it MUST, I repeat MUST, be in the current folder (this is basically > your problem)! I.e. if you do: > ls ./"executable name" it should print: > "executable name" > > If not, copy the file to the current folder, or add the file to a folder > which is in your path. > If none of this makes sense to you, please post your questions on any > linux site, it is not siesta relevant. > > Kind regards Nick > > > 2013/5/2 Drogar <[email protected]> > >> Hello >> Thanks for ur suggestion. >> >> but again i had an error >> >> >> >> jafar@jafar-Aspire-5742G:~/Desktop/test/si$ ./Eig2DOS -s 0.02 -n 500 >> -m 20 -M 10 -f < Si.EIG > Si.dos -h >> bash: ./Eig2DOS: No such file or directory >> jafar@jafar-Aspire-5742G:~/Desktop/test/si$ eig2dos < Si.EIG | tee >> dos.dat >> eig2dos: command not found >> jafar@jafar-Aspire-5742G:~/Desktop/test/si$ ./Eig2DOS Si.EIG | tee >> dos.dat >> bash: ./Eig2DOS: No such file or directory >> jafar@jafar-Aspire-5742G:~/Desktop/test/si$ >> >> this is my Si.EIG >> >> >> >> On Thu, May 2, 2013 at 6:16 PM, Uma Shankar Sharma <[email protected] >> > wrote: >> >>> to plot DOS following procedure to be followed: >>> (i) Put values exactly on the first line after the Fermi energy of >>> SystemLabel.EIGsuch that 0.05 1000 -10 10 Here first value is (eta) >>> precision second is >>> (Ne) number of eigen values Third and last are min and max energy >>> (ii) use command >>> eig2dos < SystemLabel.EIG | tee dos.dat >>> (iii) type gnuplot on terminal >>> then use command >>> plot 'dos.dat' w l >>> >>> If you again find some problem then send your SystemLabel.EIG I will >>> check it >>> >>> >>> With regards >>> Dr U S Sharma >>> RJIT, BSF Tekanpur >>> Gwalior >>> >>> >>> On Thu, May 2, 2013 at 4:07 PM, Nick Papior Andersen < >>> [email protected]> wrote: >>> >>>> as it says, dont pipe the eig into eig2dos. >>>> Do >>>> >>>> ./Eig2DOS Si.EIG | tee dos.dat >>>> >>>> Kind regards Nick >>>> >>>> 2013/5/2 Drogar <[email protected]> >>>> >>>>> Dear SIESTA user >>>>> >>>>> I had a problem with plotting DOS. I compiled Eig2DOS and transfer it >>>>> into my Silicon file. >>>>> I add "0.05 1000 10 -10 " to Si.EIG and then run - ./Eig2DOS < Si.EIG >>>>> | tee dos,dat - then see >>>>> >>>>> Aspire-5742G:~/Desktop/si$ ./Eig2DOS < Si.EIG | tee dos,dat >>>>> Usage: Eig2DOS [-d] [-s] [-l] [-m] [-M] [-b] [-B] [-h] EIGfile >>>>> Use -h option for manual >>>>> >>>>> i run with Eig2DOS < Si.EIG | tee dos,dat and Eig2DOS < Si.EIG > >>>>> dos.dat , too but see the same . >>>>> >>>>> what can i do with this to plot DOS.? >>>>> >>>>> every suggestion is helpful... >>>>> -- >>>>> with the best wishes... >>>>> Jafar >>>>> >>>> >>>> >>> >> >> >> -- >> with the best wishes... >> >> >
dos.dat
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