Ok, I found out why, you were using BandPoints, in that case the output of the bands file does not contain one extra line. Hence, gnubands only works with BandLines output. (BandPoints are a subset and a k-path is not defined). So yes, this is why it works with si_fatbands.
2015-07-23 11:21 GMT+00:00 jv sharma <[email protected]>: > Yess, finally got it with si_fatbands.bands. Thanks a lot to all who > helped!! > > On Thu, Jul 23, 2015 at 4:04 PM, Nick Papior <[email protected]> wrote: > >> I think riccardo is correct, something is wrong with the bands file. >> Hi, >> >> I did like this: >> >> 1. Replaced f95 by gfortran in arch.make file in the line, FC=f95 with >> FC=gfortran >> 2. make clean and then make in the siesta-trunk-462/Util/Bands >> 3. In the ../siesta/Util/Bands, command: gfortran -o gnubands gnubands.f >> 3. Got like this: >> >> jv@jv-desktop:~/siesta-trunk-462/Util/Bands$ gnubands >> <si_bandpoints.bands> si_bands.dat >> At line 27 of file gnubands.f (unit = 5, file = 'stdin') >> Fortran runtime error: Bad integer for item 1 in list input >> >> jv@jv-desktop:~/siesta-trunk-462/Util/Bands$ ./gnubands >> <si_bandpoints.bands> si_bands.dat >> At line 37 of file gnubands.f (unit = 5, file = 'stdin') >> Fortran runtime error: Bad integer for item 1 in list input >> >> jv@jv-desktop:~/siesta-trunk-462/Util/Bands$ ./new.gnubands >> <si_bandpoints.bands> si_bands.dat >> At line 128 of file new.gnubands.f90 (unit = 5, file = 'stdin') >> Fortran runtime error: Bad integer for item 1 in list input >> >> On Thu, Jul 23, 2015 at 2:33 PM, Jean-Joseph Adjizian < >> [email protected]> wrote: >> >>> Hi, >>> >>> have you opened your arch.make file? >>> I think what Nick Papior is saying is to change your Fortran compiler. >>> Instead of using f95 you should use gfortran. >>> And "surprisingly", if you do a search in your arch.make file there is >>> only one match for f95. Maybe if you change it to gfortran? >>> >>> Cheers, >>> >>> Jean-Jo >>> >>> Le 23/07/15 10:43, jv sharma a écrit : >>> >>> Dear Prof. Nick, >>> >>> Sorry to bother, attached here my arch.make file. Could you please let >>> me know where to make the changes, and also how to proceed after making >>> changes in this file? >>> >>> On Thu, Jul 23, 2015 at 2:06 PM, Nick Papior <[email protected]> >>> wrote: >>> >>>> Ah. Would you please try gfortran instead of f95. Edit your arch.make >>>> file. >>>> >>> >>> >>> >> > -- Kind regards Nick
