How to deal with this problem of the 'magmom'
Posted: Thu Nov 12, 2009 5:23 pm
I set the Magmom in the INCAR like this :
SYSTEM =C H
ENCUT =400
ISMEAR = 0
SIGMA =0.2
EDIFF =1.0E-5
EDIFFG =-1.0E-2
LREAL = AUTO
LSCALU =.FALSE.
ALGO =FAST
NPAR =2
LPLANE =.TRUE.
NELMIN =6
NELMDL = -5
NELM = 60
ISTART =0
IBRION = -1
POTIM =0.5
LORBIT =11
MAGMOM = 16*0.00 0.143 -0.038 0.045 10*0.00 -0.045 0.038 \
-0.143 0.143 -0.038 0.045 10*0 -0.045 0.038 -0.143 0.143 -0.038 \ 0.045 10*0.00 -0.045 0.038 -0.143 0.143 -0.038 0.045 10*0 -0.045 \ 0.038 -0.143 0.143 -0.038 0.045 10*0.00 -0.045 0.038 -0.143 0.143 \
-0.038 0.045 10*0.00 -0.045 0.038 -0.143 0.143 -0.038 0.045 \ 10*0.00 -0.045 0.038 -0.143 0.143 -0.038 0.045 10*0.00 -0.045 \ 0.038 -0.143
#LWAVE =.FALSE.
#LCHARG =.FALSE.
ISIF = 2
ICHARG =2
ISYM =0
ISPIN =2
NSW =0
MAXMIX =120
But it always give a error
running on 16 nodes
distr: one band on 8 nodes, 2 groups
vasp.5.2.2 15Apr09 complex
POSCAR found type information on POSCAR H C
POSCAR found : 2 types and 144 ions
Error reading item 'MAGMOM' from file INCAR.
Error code was IERR=0 ... . Found N= 97 data.
FORTRAN STOP
FORTRAN STOP
FORTRAN STOP
I don't know what's the matter ?
Can you help me solve this questions ?
SYSTEM =C H
ENCUT =400
ISMEAR = 0
SIGMA =0.2
EDIFF =1.0E-5
EDIFFG =-1.0E-2
LREAL = AUTO
LSCALU =.FALSE.
ALGO =FAST
NPAR =2
LPLANE =.TRUE.
NELMIN =6
NELMDL = -5
NELM = 60
ISTART =0
IBRION = -1
POTIM =0.5
LORBIT =11
MAGMOM = 16*0.00 0.143 -0.038 0.045 10*0.00 -0.045 0.038 \
-0.143 0.143 -0.038 0.045 10*0 -0.045 0.038 -0.143 0.143 -0.038 \ 0.045 10*0.00 -0.045 0.038 -0.143 0.143 -0.038 0.045 10*0 -0.045 \ 0.038 -0.143 0.143 -0.038 0.045 10*0.00 -0.045 0.038 -0.143 0.143 \
-0.038 0.045 10*0.00 -0.045 0.038 -0.143 0.143 -0.038 0.045 \ 10*0.00 -0.045 0.038 -0.143 0.143 -0.038 0.045 10*0.00 -0.045 \ 0.038 -0.143
#LWAVE =.FALSE.
#LCHARG =.FALSE.
ISIF = 2
ICHARG =2
ISYM =0
ISPIN =2
NSW =0
MAXMIX =120
But it always give a error
running on 16 nodes
distr: one band on 8 nodes, 2 groups
vasp.5.2.2 15Apr09 complex
POSCAR found type information on POSCAR H C
POSCAR found : 2 types and 144 ions
Error reading item 'MAGMOM' from file INCAR.
Error code was IERR=0 ... . Found N= 97 data.
FORTRAN STOP
FORTRAN STOP
FORTRAN STOP
I don't know what's the matter ?
Can you help me solve this questions ?