[Pw_forum] warning in SCF run

mayank gupta mayankaditya at gmail.com
Wed May 11 11:52:10 CEST 2011


Hi


I am calculating the total energy of ZrO2, I am getting warning
"Negative rho up down= 0.695E00   0.00"
I have choosen 20 times ecut_rho that of ecut.  does this affect our
results or we can ignore this.


Thanks
-- 
Mayank

BARC


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