Re: [Wien] Error in Parallel LAPW1 during mBJ calculations

2020-08-18 Thread Peeyush Kumar Kamlesh
Thank you so much Sir, It is working now. On Mon, Aug 17, 2020 at 10:13 PM Peeyush Kumar Kamlesh < peeyush.physik@gmail.com> wrote: > Dear Users, > Greetings! > I am using WIEN2k_19.1. I have successfully completed scf calculations > using WC-GGA potential functional. But when I Use to do

Re: [Wien] Error in Parallel LAPW1 during mBJ calculations

2020-08-17 Thread Tran, Fabien
will be very slow. From: Wien on behalf of Peeyush Kumar Kamlesh Sent: Monday, August 17, 2020 6:43 PM To: wien-requ...@zeus.theochem.tuwien.ac.at; wien@zeus.theochem.tuwien.ac.at Subject: [Wien] Error in Parallel LAPW1 during mBJ calculations Dear Users, Greetings

[Wien] Error in Parallel LAPW1 during mBJ calculations

2020-08-17 Thread Peeyush Kumar Kamlesh
Dear Users, Greetings! I am using WIEN2k_19.1. I have successfully completed scf calculations using WC-GGA potential functional. But when I Use to do the same by employing mBJ, then I get following error in lapw1 of the 3rd scf cycle: - ** LAPW1 STOPPED at Mon Aug