Changeset fdbf0c for pcp/src/run.h

Timestamp:

Sep 11, 2008, 1:27:26 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

5a78f5, c99adf

Parents:

4917ddd

Message:

pcp now only performs the wannier minimisation in the non-perturbative case only if explicitely s
tated in the config file: DoWannier

File:

• pcp/src/run.h (modified) (1 diff)

pcp/src/run.h

@@ -67 +67 @@
   int DoFullCurrent;              //!< whether in current density \f$\Delta j_k(r')\f$ is always (1), never (0) or when needed (2) calculated and added
   int DoPerturbation;             //!< States whether an external magnetic field is applied and perturbed wave functions, energies and derivated currents shall be calculated
+  int DoWannier;                  //!< States in the non-perturbation case whether we still have to calculate wannier functions (1) or not (0)
   int CommonWannier;               //!< Defines whether the same Wannier centre for all orbitals (1), individual (0) or combined ones in regard to spread (2) shall be used
   int VectorPlane;                //!< output current vector plane perpendicular to this axis (0,1,2, -1=don't)