Continuation of a line in INCAR

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
leostorm10
Newbie
Newbie
Posts: 20
Joined: Thu Feb 18, 2010 6:07 am

Continuation of a line in INCAR

#1 Post by leostorm10 » Tue Jan 04, 2011 7:23 am

Dear all,
I am doing a spin-polarised calculation with Spin-Orbit with 80 atoms in the cell. I have to set MAGMOM tag in the INCAR file. I am facing a problem that the MAGMOM tag line goes to the second line as shown :

ISPIN = 2
VOSKOWN = 1
MAGMOM = 16*0 0 0 0 0 6 0 0 6 0 0 6 0 0 6 0 0 6 0 0 6 0 0 6 0 0 6 /
0 0 6 0 0 6 0 0 6 0 0 6 0 0 6 0 0 6 0 0 6 0 0 6 48*0 0 0

In the manual it is said that " If a line ends with a backslash the next line is considered as a continuation line.". But using it I am getting error :

Error reading item 'MAGMOM' from file INCAR.
Error code was IERR=0 ... . Found N= 42 data.

So can anyone suggest please what should I do.
Last edited by leostorm10 on Tue Jan 04, 2011 7:23 am, edited 1 time in total.

forsdan
Sr. Member
Sr. Member
Posts: 339
Joined: Mon Apr 24, 2006 9:07 am
License Nr.: 173
Location: Gothenburg, Sweden

Continuation of a line in INCAR

#2 Post by forsdan » Wed Jan 05, 2011 7:55 pm

I do not understand why you need to break the line at all. Any decent text editor can write all values on one single line. Please distinguish between a displayed row break on the screen and an actual rowbreak character.

In either way you are using a regular slash in your example and not a backslash...

Cheers,
/Dan
Last edited by forsdan on Wed Jan 05, 2011 7:55 pm, edited 1 time in total.

Post Reply