Re: [Wien] Need help in knowing the way for controlling the strength of SOC in calculations.

2022-06-21 Thread Peter Blaha
No, there is no way to reduce the SO effect by an input parameter. Of course you can modify SRC_lapwso and recompile. The speed of light is defined in modules.F, where it is set as a parameter. modules.F: REAL*8,PARAMETER :: CLIGHT=137.0359895D0 You can change it there and recompile.

[Wien] Need help in knowing the way for controlling the strength of SOC in calculations.

2022-06-21 Thread VIVEK PANDEY
Sir, I am Vivek Pandey, a Ph.D. student. I am running wien version WIEN2k_21.1 on a HPC cluster with operating system CentOS Linux 7 (Core). The Fortran compiler being used is GNU Fortran (GCC) 4.8.5 20150623 (Red Hat 4.8.5-44). I want to study the effect of the strength of spin-orbit