These days ,i calculated an armchair nanotube.But VASP program can not convergence.My INCAR file is:
SYSTEM=Si
ENCUT=300
ISTART=0
ICHARG=2
ISMEAR=0
EDIFF=1E-4
EDIFFG=-0.1E-3
PREC=Medium
LREAL=AUTO
IALGO=38
IBRION=1
ISIF=2
GGA=91
POTIM=1.0
NSW=200
#ISPIN=2
Could you give me some advice?
THANKS
<span class='smallblacktext'>[ Edited ]</span>
nanotube INCAR
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Re: nanotube INCAR
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