Page 1 of 1

How to deal with this problem of the 'magmom'

Posted: Thu Nov 12, 2009 5:23 pm
by VASP001
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 ?

How to deal with this problem of the 'magmom'

Posted: Thu Nov 12, 2009 8:19 pm
by forsdan
It could be the line length. At least VASP 4.6 had a maximum line length of 255 char when reading variables from the INCAR, and the MAGMOM line in your case exceed this limit. It was possible to change this in the drdatab.F file in the vasp library, by going to the drdatab.F file (vasp.4.lib) #define LONGCHAR (at the beginning, before #ifdef LONGCHAR) and recompiling the lib and VASP. Please check if this is still the case in VASP5.2.2.


Hope this helps,

Cheers
/Dan

<span class='smallblacktext'>[ Edited Thu Nov 12 2009, 09:26PM ]</span>