ENCUT= 500; EDIFF= 1E-04; SIGMA= 0.04; ISMEAR= 0; NELM= 500; LASPH= T; 
ISYM= -1
LSORBIT= T 
LREAL= A
GGA= PS
LORBIT= 11; LMAXMIX= 4
LHFCALC= T
HFSCREEN= 0.2
LWAVE= F