WARNING :stress and forces are not correct
Posted: Fri Nov 24, 2006 12:28 pm
Some problem :
1)After correct relaxation and static scf caculation ,i want to do band DOS and band structure ,but i have always get the following warning :
WARNING :stress and forces are not correct
why ? and if this warning will affect results ?
2)when relaxation, I have got message :ZBRENT: fatal internal in brackting system-shutdown; contact gK immediately
Could you tell me reason ?
3)and have got :ZBRENT: can't locate minimum, use default step . will this affect results ?
1)After correct relaxation and static scf caculation ,i want to do band DOS and band structure ,but i have always get the following warning :
WARNING :stress and forces are not correct
why ? and if this warning will affect results ?
2)when relaxation, I have got message :ZBRENT: fatal internal in brackting system-shutdown; contact gK immediately
Could you tell me reason ?
3)and have got :ZBRENT: can't locate minimum, use default step . will this affect results ?