Fix noncolin
- Fixes a a bug in for the noncolinear magnetic case.
- thread parallelization of compute_rho ( the routine use to create a local rho_up and rho_dn in the non colinear case)
tests:
-
Fe Spinorbit with BLYP functional
- reference calculation with spin orbit qe-641-spinOrb-blyp
- develop version + this fix oBlyp-fix
-
Fe Spinorbit with PBE functional
- reference calculation qe-641_spinOrbit
- develop version + this fix oPBE-fix
-
Fe Scalar Relativistic with PBE functional
- reference calculation qe-641-PBE_SR
- develop version + this fix oPBE-SR-fix
- PH at X reference qe-641-ph_PBE_SR
- PH at X develop version + this fix oPH_PBE_SR
Edited by Pietro Delugas