printing out partial magnetization in spin-polarized hybrid calc
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md
- Newbie
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- Joined: Thu Nov 10, 2011 2:43 pm
printing out partial magnetization in spin-polarized hybrid calc
I need a hint how to force VASP to print out the partial magetic moments into OUTCAR. when running non-hybrid calculations i have no problem with it. I just set NPAR=1 and the RWIGS and I get it. in case of hybrid calculations, the job won't run unless I set NPAR= number of processors in the node, which in my case is NPAR=16. In that case, however, no moments are printed out in to OUTCAR. Could anyone tell me how to overcome this problem. thank you.
Last edited by md on Thu Nov 10, 2011 3:50 pm, edited 1 time in total.
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support_vasp
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Re: printing out partial magnetization in spin-polarized hybrid calc
Hi,
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