Re: [Wien] WARNING in CHARGED CELL calculation

2019-04-29 Thread Laurence Marks
You cannot remove the warning, it is there for all charged cells so users are aware that no corrections such as those in the references cited are made. It is only a warning, for your problem it can be ignored. On Mon, Apr 29, 2019 at 9:48 AM Santanu Pathak wrote: > I am calculating energy and

Re: [Wien] WARNING in CHARGED CELL calculation

2019-04-29 Thread Santanu Pathak
I am calculating energy and hyperfine parameters for oxide. I have performed a neutral cell calculation and then due to performing, made the required changes in input files (1. Removed 1 electron, therefore reduced :NE by 1 in .in2c file, and 2. Edited 1st line in .inm file by BROYD -1.0 YES).