[Wien] CORE electrons leak out of MT-sphere

[sikander Azam]

Dear All
I have the following problem, please help me how to fix it.


  SELECT ENERGY to separate core and valence states:
  recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere)
  ALTERNATIVELY: specify charge localization
  (between 0.97 and 1.0) to select core state
-6.0

:WARNING:    14.061  Bi   CORE electrons leak out of MT-sphere !!!!
:WARNING:     touch .lcore and run scf-cycle with core density superposition
:WARNING:     Or: rerun lstart with lower E-core separation energy
:WARNING:     ORBITAL:  5P*    -8.311    -8.309
:WARNING:     ORBITAL:  5P     -6.497    -6.495
:WARNING:     ORBITAL:  4F    -10.940   -10.939

:WARNING:    14.061  Bi   CORE electrons leak out of MT-sphere !!!!
:WARNING:     touch .lcore and run scf-cycle with core density superposition
:WARNING:     Or: rerun lstart with lower E-core separation energy
:WARNING:     ORBITAL:  5P*    -8.311    -8.309
:WARNING:     ORBITAL:  5P     -6.497    -6.495
:WARNING:     ORBITAL:  4F    -10.940   -10.939

:WARNING:    14.061  Bi   CORE electrons leak out of MT-sphere !!!!
:WARNING:     touch .lcore and run scf-cycle with core density superposition
:WARNING:     Or: rerun lstart with lower E-core separation energy
:WARNING:     ORBITAL:  5P*    -8.311    -8.309
:WARNING:     ORBITAL:  5P     -6.497    -6.495
:WARNING:     ORBITAL:  4F    -10.940   -10.939

:WARNING:    15.406  La   CORE electrons leak out of MT-sphere !!!!
:WARNING:     touch .lcore and run scf-cycle with core density superposition
:WARNING:     Or: rerun lstart with lower E-core separation energy
:WARNING:     ORBITAL:  4D*    -7.724    -7.721
:WARNING:     ORBITAL:  4D     -7.505    -7.503

:WARNING:    14.061  Bi   CORE electrons leak out of MT-sphere !!!!
:WARNING:     touch .lcore and run scf-cycle with core density superposition
:WARNING:     Or: rerun lstart with lower E-core separation energy
:WARNING:     ORBITAL:  5P*    -8.311    -8.309
:WARNING:     ORBITAL:  5P     -6.497    -6.495
:WARNING:     ORBITAL:  4F    -10.940   -10.939

:WARNING:    15.406  La   CORE electrons leak out of MT-sphere !!!!
:WARNING:     touch .lcore and run scf-cycle with core density superposition
:WARNING:     Or: rerun lstart with lower E-core separation energy
:WARNING:     ORBITAL:  4D*    -7.724    -7.721
:WARNING:     ORBITAL:  4D     -7.505    -7.503

:WARNING:    15.406  La   CORE electrons leak out of MT-sphere !!!!
:WARNING:     touch .lcore and run scf-cycle with core density superposition
:WARNING:     Or: rerun lstart with lower E-core separation energy
:WARNING:     ORBITAL:  4D*    -7.724    -7.721
:WARNING:     ORBITAL:  4D     -7.505    -7.503
LSTART ENDS
1.427u 0.027s 0:10.38 13.8% 0+0k 0+7240io 0pf+0w
WARNING:  14.061 Bi   CORE electrons leak out of MT-sphere !!!!
WARNING:  14.061 Bi   CORE electrons leak out of MT-sphere !!!!
WARNING:  14.061 Bi   CORE electrons leak out of MT-sphere !!!!
WARNING:  15.406 La   CORE electrons leak out of MT-sphere !!!!
WARNING:  14.061 Bi   CORE electrons leak out of MT-sphere !!!!
WARNING:  15.406 La   CORE electrons leak out of MT-sphere !!!!
WARNING:  15.406 La   CORE electrons leak out of MT-sphere !!!!
       check La1Bi1S3.outputst how much core charge leaks out
       if you continue, file .lcore will be created and the scf-cycle
       will be run with core-density superposition
       alternatively you can rerun lstart with a smaller ECORE


Thanks in advance
Regards
sikander
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