[Wien] Rmt in binary AIN

zoulikha charifi charifi_z at yahoo.fr
Mon Dec 12 11:47:32 CET 2005


daer users wien2k 
I am studing the binary AlN. I have chosen the Rmt for
N equal 1.4 and for Al 2.1.
during the initialization calulation  I found this
warning in the file *.outputst 
for good atomic total energies you should probably
change the radial mesh( reduce NRAD or increase R0),
or increase parameters NTP and NTP00
can any body help me 
thanks in advance 
charifi zoulikha 


	

	
		
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