1)Is it possible to fix the magnetic moment on each atom in a non-collinear calculation? If yes, what are the tags required for that ?
2) Is it possible to simulate magnetic spiral with VASP ?
Fixing magnetic moment on each atom in a noncollinear magnetic calculation
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prithwish
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Fixing magnetic moment on each atom in a noncollinear magnetic calculation
Last edited by prithwish on Tue Mar 09, 2010 12:32 pm, edited 1 time in total.
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forsdan
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Fixing magnetic moment on each atom in a noncollinear magnetic calculation
1) You can constrain the direction on each respective atom by using a penalty function. Please have a look at this previous thread
http://cms.mpi.univie.ac.at/vasp-forum/ ... .php?4.100
for the required tags. However, the value of the magnetic moment for a specific atom cannot be fixed.
2) For simulating spin spirals, please have a look at
http://cms.mpi.univie.ac.at/vasp-forum/ ... c.php?4.94
Hope this helps
Cheers,
/Dan
http://cms.mpi.univie.ac.at/vasp-forum/ ... .php?4.100
for the required tags. However, the value of the magnetic moment for a specific atom cannot be fixed.
2) For simulating spin spirals, please have a look at
http://cms.mpi.univie.ac.at/vasp-forum/ ... c.php?4.94
Hope this helps
Cheers,
/Dan
Last edited by forsdan on Wed Mar 10, 2010 6:35 pm, edited 1 time in total.