THANKES ALL i used of "OLD" version eig2dos and now it works. Best Jafar
On Thu, May 2, 2013 at 9:17 PM, Uma Shankar Sharma <[email protected]>wrote: > 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... >>> >>> >> > -- with the best wishes...
