[FPLO] WARNING in MODULE DENSITY(density_analysis):

luxiaohua_525 luxiaohua_525 at 163.com
Fri Mar 12 13:54:14 CET 2010


Hi , my dear friends .  i am sorry to bother you again.
I try to do electronic and magnetic properties of Co3V2O8.   for paramagnetic. when I  calculate it. +error file shows:
WARNING in MODULE DENSITY(density_analysis):
 Total iteration step:     1
 Total ionicity deviates to much from zero !
 Check the calculation!
WARNING in MODULE MOLPOT(molpottogrid):
 Numerical inaccuracy in vxc/exc calculation! 
 maxerror= 0.2109E+005

But I check input file carefully.  it is right.   I don't understand what's wrong? which will lead to seriously error for out?
thank you again!
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