[Wien] LAPWDM crashed - forrtl: severe (39): error during read, unit 9, file .../.vectorup

2017-10-04 Thread Rui Mario da Silva Costa
Dear WIEN2k users, I am trying to do an AFM GGA+U simulation on GdMnO3, for this I created a supercell to define the up and down spins and every time I run the simulation with U, it crashes in the first cycle with the message "forrtl: severe (39): error during read, unit 9, file (...)/case.vecto

Re: [Wien] LAPWDM crashed - forrtl: severe (39): error during read, unit 9, file .../.vectorup

2017-10-09 Thread Rui Mario da Silva Costa
://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15459.html On 10/4/2017 7:09 AM, Rui Mario da Silva Costa wrote: Dear WIEN2k users, I am trying to do an AFM GGA+U simulation on GdMnO3, for this I created a supercell to define the up and down spins and every time I run the simulation with U, it