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 > > >
