[Wien] warning:you must move the origin.

[王静]

Dear Prof. Blaha and Wien Users,
   I have met warnings “you must move the origin (see file case.outputs)” when executed initializations twice. The space group of the two systems I calculated both are P21/n (No.14).  For the first system in which a=4.352675 and b=4.348963 the warning disappeared when lattice parameter “a” was changed into 4.362675 while for the other system angle β=89.9976 should be changed into 89.9876. 
   Any suggestions why and how to go through without changing lattice parameters?


	

　　　　　　　　wangjing
　　　　　　　　wangjingjing at ciac.jl.cn
　　　　　　　　　　2010-01-21