Wien2k
Revision as of 11:43, 30 July 2014 by 157.193.240.2 (talk)
Warnings by location:
output1: Not all eigenvectors are orthogonal
case.scf: semicore band ranges too large
case.outputM: BFGS Theta reduced to x.xxxxxxx
Errors by location:
Warnings by location:
output1: Not all eigenvectors are orthogonal
case.scf: semicore band ranges too large
case.outputM: BFGS Theta reduced to x.xxxxxxx
Errors by location: