[Wien] Problem Regarding SLATER Calculations

[apande at iitk.ac.in]

Dear Users,

THE FOLLOWING FILES WERE NOT CREATED

case_SLATER_updated_1.scf
case_SLATER_fixed_1.scf
case_SLATER_updated_2.scf
case_SLATER_fixed_2.scf
case_SLATER_updated_3.scf
case_SLATER_fixed_3.scf
etc.


Note that the user guide says

The hf-module generates the file case.r2v_nonloc which contains the
Slater/SmBJ/KLI potential multiplied by the electron density. This file is
read by lapw0 in order to include the Slater/SmBJ/KLI potential into the
total potential

BUT THERE IS NO SUCH FILE CREATED IN THE DIRECTORY AFTER init_hf_lapw





Also if in STEP where case.in) is edited if I replace VX_SLATER by VX_KLI
, the band gap still comes out to be 10.813 eV  ie the same value . This
indicates that there is no change for the two which should not be correct.

Please Help



With Regards

Aditya Pande