questions for spin spiral
Posted: Fri Jul 26, 2013 2:03 pm
Dear Admin:
I compile the VASP5.x for spiral,and add use_enini_without_ldelay to makefile. But with these data below for FCC Fe, we can not get the spin spiral data.
ICHARG = 1
ISMEAR = 0
PREC = High
ENCUT = 400
ENINI=100
EDIFF = 1E-6
VOSKOWN = 1
ISPIN = 2
ISYM = -1
LNONCOLLINEAR = .TRUE.
#LSPIRAL = .TRUE.
QSPIRAL = 0.1 0.1 0.0
LASPH = .TRUE.
MAGMOM = 0 0 0.55 0 0 0.55 0 0 0.55 0 0 0.55
even grep "LSPIRAL" OUTCAR, we get nothing.
So what happens? Does the vasp need another new .F file to compile VASP? Or our input data are something wrong?
Waiting for your answer. Thank you
I compile the VASP5.x for spiral,and add use_enini_without_ldelay to makefile. But with these data below for FCC Fe, we can not get the spin spiral data.
ICHARG = 1
ISMEAR = 0
PREC = High
ENCUT = 400
ENINI=100
EDIFF = 1E-6
VOSKOWN = 1
ISPIN = 2
ISYM = -1
LNONCOLLINEAR = .TRUE.
#LSPIRAL = .TRUE.
QSPIRAL = 0.1 0.1 0.0
LASPH = .TRUE.
MAGMOM = 0 0 0.55 0 0 0.55 0 0 0.55 0 0 0.55
even grep "LSPIRAL" OUTCAR, we get nothing.
So what happens? Does the vasp need another new .F file to compile VASP? Or our input data are something wrong?
Waiting for your answer. Thank you