[Wien] [Wien2k Users] ENE Warning

[王静]

The first parameter in the third line of case.in1 is E-parameter.I think you can have a try to change it(accoding the warning:"You should change the E-parameter in case.in1 or use -in1ef /
-in1new switch").E-parameter is the El in equation 2.4 in UG(page 9). 0.3(the default value for E-parameter) is usually OK for most cases but may not suitable for f-electrons so a warning exits not an error. I have not dealt with any systems involving f-orbital,so just give my opinion. 

	

　　　　　　         wangjing
　　　　　　　　wangjingjing at ciac.jl.cn
　　　　　　　　　　2009-12-22