[Wien] I/O syntax error in B_ext calculation

Dear Users I am running scf for Ba2CoSi2O7. simply I run 1. init_lapw 2. applied B_ext of 5T in case.inorb file. 3. run the command line runsp_lapw -p -orb -cc 0.001 -ec 0.001 I came across the following error forrtl: severe (59): list-directed I/O syntax error, unit 5, file

Re: [Wien] I/O syntax error in B_ext calculation

Please read the user guide carefully. Your case.inorb file is wrong. On Sat, Sep 5, 2015 at 8:12 AM, Muhammad Sajjad wrote: > > Dear Users > I am running scf for Ba2CoSi2O7. simply I run > 1. init_lapw > 2. applied B_ext of 5T in case.inorb file. > 3. run the command line