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
questions for spin spiral
Moderators: Global Moderator, Moderator
-
- Newbie
- Posts: 2
- Joined: Fri Jul 26, 2013 10:35 am
questions for spin spiral
Last edited by zhuyan0305 on Fri Jul 26, 2013 2:03 pm, edited 1 time in total.
-
- Newbie
- Posts: 2
- Joined: Fri Jul 26, 2013 10:35 am
questions for spin spiral
I have heared that, we should add -Duse_enini_without_ldelay into makefile first, then we should modify one sentence in the file about spiral. So, which file and which sentence should we modify? Thanks a lot
Last edited by zhuyan0305 on Fri Jul 26, 2013 2:36 pm, edited 1 time in total.