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EDIFF
EDIFFG
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ENCUT energy cutoff ½Ø¶Ï¶¯ÄÜ
Cut-off energy for plane wave basis set in eV. All plane-waves with a kinetic energy smaller than $ E_ {\rm cut}$ are included in the basis set: i.e.
EDIFF ¾ö¶¨µç×Ó²½³ÚÔ¥±ê×¼
Specifies the global break condition for the electronic SC-loop. The relaxation of the electronic degrees of freedom will be stopped if the total (free) energy change and the band structure energy change ('change of eigenvalues') between two steps are both smaller than EDIFF. For EDIFF=0 always NELM electronic SC-steps will be performed.
EDIFFG ¾ö¶¨Àë×Ó²½³ÚÔ¥±ê×¼£¬ÕýֵΪÄÜÁ¿ÊÕÁ² ¸ºÊýΪÁ¦ÊÕÁ²
Default :        EDIFF*10
EDIFFG defines the break condition for the ionic relaxation loop. If the change in the total (free) energy is smaller than EDIFFG between two ionic steps relaxation will be stopped. If EDIFFG is negative it has a different meaning: In this case the relaxation will stop if all forces are small than the tex2html_wrap_inline4359 EDIFFG tex2html_wrap_inline4359 . This is usually a more convenient setting.
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