[Wien] Data meaning in WIEN2K
Dear Prof. Peter BALAHA can you tell me what : DUPxxx DTOxxx NUPxxx NTOxxx CUPxxx CTOxxx FCAxxx FGLxxx refers to thank you. -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110525/5d51be08/attachment.htm
[Wien] Data meaning in WIEN2K
can you tell me what : DUPxxx DTOxxx NUPxxx NTOxxx CUPxxx CTOxxx FCAxxx FGLxxx refers to See section 4.4 of the usersguide and/or explanatory sentences just before these labels in the case.scf file. Stefaan
[Wien] Data meaning in WIEN2K
Dear Stefaan thank you for your replay* are there any reference other than the UG thanks * See section 4.4 of the usersguide and/or explanatory sentences just before these labels in the case.scf file. Stefaan * can you tell me what : ** DUPxxx ** DTOxxx ** NUPxxx ** NTOxxx ** CUPxxx ** CTOxxx ** FCAxxx ** FGLxxx ** refers to* -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110525/42f60866/attachment.htm