I have a unit cell with 174 atoms for which I am constraining the magnetic moments.
I use the flag as follows:
M_CONSTR=001 001 000 ...
giving three coordinates for all 174 atoms. However, this build will only recognize N=57 sets of coordinates and less.
Is there a length limit for this flag? If so, how to change it so that it will read all 3*174 coordinates?
Problem with I_CONSTR flag (VASP 5.2.11)
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olson139
Problem with I_CONSTR flag (VASP 5.2.11)
Last edited by olson139 on Fri Dec 07, 2012 10:13 pm, edited 1 time in total.
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nulakani
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Problem with I_CONSTR flag (VASP 5.2.11)
hai Olson please take a look at this link
http://cms.mpi.univie.ac.at/vasp-forum/ ... .php?3.833
http://cms.mpi.univie.ac.at/vasp-forum/ ... .php?3.833
Last edited by nulakani on Wed Apr 17, 2013 11:22 am, edited 1 time in total.