[Wien] SPHBES - Error

Bouabdellah AZOUZA b.azouza at gmail.com
Sat Jan 28 14:57:19 CET 2012


Respected Sir,
 I am running wien version 11 on a machine of type I3 with
operating system lunix 11.3, fortran compiler ifort
I am running this case (MgFeH3.struct) (Perovskite structure).After
defining and initializing the structure for RMTKmax=9, during SCF run
it reports an error as :

 Error in LAPW1
SPHBES - Error

for RMTKmax=8,9.5 during SCF run it reports an error as :
error in lapw2
L2main –OT –B.GT 15 Ghostbands chek scf files
Kindly help me how to remove this errors

Best regards

Bouabdellah azouza

Department of Physics, USTHB Algiers Algeria


More information about the Wien mailing list