Re: [Wien] Error in bandstructure using x spaghetti

2023-11-14 Thread Peter Blaha
It is obvious that the error occurs while reading the input file *.insp Most likely you did not put the correct Fermi energy into this file. By default there is a x. laceholder and this has to be replaced by your EF (which you can find in your scf file (grep :FER case.scf). Regards

[Wien] Error in bandstructure using x spaghetti

2023-11-14 Thread 夏宇阳
Hi, I am facing a error in the bandstructure with the commandline x spaghetti.My compiler is gfortran and openblas in Ubuntu.Program input is: "" At line 37 of file inview.f (unit = 5, file = 'TiC_2.insp') Fortran runtime error: Bad real number in item 2 of list input Error termination.