[Wien] error in calculation of eigen value

My version is 7.1 During execution of band structure task at command x lapw1 -band i am getting following message Commandline: *x lapw1 -band * Program input is: *""* At line 75 of file modules_tmp_.F (unit = 5, file = 'root.in1c') Fortran runtime error: End of file 0.003u 0.000s 0:00.00 0.0%

Re: [Wien] error in calculation of eigen value

It seems you forget the option -c. More generally speaking to help users we need more details. Best Regards Xavier Le 08/03/2018 à 04:45, Lalit Mohan a écrit : My version is 7.1 During execution of band structure task at command x lapw1 -band i am getting following message Commandline: *x

Re: [Wien] error in calculation of eigen value

This looks like the WIEN2k 17.1 w2web bug reported before [1,2]. Are you using the fixed band.pl and scf.pl from the mailing list [3] or band.patch and scf.patch [4] for WIEN2k 17.1? [1] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16743.html [2] https://www.mail-archive.c