dear Sir
thank you very much after doing ln -s mol.hsx HSX when I type hsx2hs again, I have this error Using unit: 10 At line 80 of file hsx_m.f90 (unit = 10, file = 'HSX') please help me thanks a lot ________________________________ From: Nick Papior Andersen <[email protected]> To: Mehrzad Sasanpoor <[email protected]> Cc: "[email protected]" <[email protected]> Sent: Tuesday, September 18, 2012 5:12 PM Subject: Re: [SIESTA-L] read H matrix from .hsx file Dear Mehrzad That function is not intented to read in from stdin. It reads the HSX file from a file called "HSX". Thus you should do this: ln -s mol.hsx HSX hsx2hs mv HS mol.HS rm HSX And that should be it... Kind regards Nick 2012/9/18 Mehrzad Sasanpoor <[email protected]> dear Sir >thank a lot for your response, I understood that mprop.f90 read only hs file; >however when I convert the mol.HSX to HS file, >hsx2hs <mol.hsx > I face with this error > > Using unit: 10 >At line 67 of file hsx_m.f90 (unit = 10, file = '') >Fortran runtime error: File 'HSX' does not exist > >what should I do? >thanks a lot > > > >________________________________ > From: Huang Bing <[email protected]> >To: Mehrzad Sasanpoor <[email protected]> >Cc: siesta-l <[email protected]> >Sent: Tuesday, September 18, 2012 3:53 PM >Subject: Re: [SIESTA-L] read H matrix from .hsx file > > > >Hi, >Having a look at the mprop.f90 (siesta-3.1/Util/COOP/mprop.f90) >could perhaps gives you some hint. > > >Best Regards, >Bing > > > >2012/9/18 Mehrzad Sasanpoor <[email protected]> > >hi siesta users, >>I want to open and read the *.HSX file which have the site and hopping energy >>of my typical molecule, >>but I couldn't, >>can anybody tell me how I open and read my informations from it, >> >>I really need these informations soon >> >>thanks a lot >> >> >> > > >
