Re: [Wien] Fwd: EFG and MM

2015-07-04 Thread Gavin Abo
Did you read page 10 in efg2.pdf? The EFG information is outputted in case.scf0 and case.output2: /The EFG is calculated in the local coordinate system, and it is printed (in case.scf0 and// //case.output2) in this one as well as in its PAS (principal axis system) with respect to// //the loc

[Wien] Fwd: EFG and MM

2015-07-04 Thread Muhammad Sajjad
Dear Users Are the values of asymmetry parameter (eta) or Vxx, Vyy, Vzz printed in some file? I found VZZ001 is printed in case.scf file like :VZZ001: EFG INSIDE SPHERE 1 = 3.735466 UP TO R = 2.5 I am trying to understand http://www.wien2k.at/reg_user/faq/efg2.pdf but facing som