[Wien] (rotation+translation matrix)

: U Pos1: X=0.00 y=0.00 z=0.00 Atom2: O Pos1: X=0.75 y=0.25 z=0.25 Pos2: X=0.25 y=0.75 z=0.75 How can I determine the rotation+ translation matrix in "x afminput" step of calculations for UO2? Best Regards Jaafar Jalilian -- *Sincerely Yours* Jaafar Jalilian *Senior Research

[Wien] Error in fermi energy of graphene

, but I obtain -0.088 Ry. What is problem in your opinion? -- *Sincerely Yours* Jaafar Jalilian *Senior Researcher* *Young Researchers and Elite Club, Islamic Azad University, Kermanshah, Iran.* ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http

[Wien] How I can determine the equilibrium interlayer distance between bilayer graphene?

opinion, which method provides the correct value? -- *Sincerely Yours* Jaafar Jalilian *Senior Researcher* *Young Researchers and Elite Club, Islamic Azad University, Kermanshah, Iran.* ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http

[Wien] Invitation to connect on LinkedIn

LinkedIn jaafar jalilian requested to add you as a connection on LinkedIn: -- Saeid, I'd like to add you to my professional network on LinkedIn. - jaafar Accept invitation from jaafar jalilian http://www.linkedin.com/e/hkdd2o

[Wien] tmp error

hello i download a output file for bandstructure case.spaghetti_ene with another computer. how can i plot this output in my computer? can i get this bandstructure image in terminal window? thanks -- next part -- An HTML attachment was scrubbed... URL:

[Wien] tmp error

hello when i start to run case interface,after some cycle run stop and take down message rm: can not remove: in.tmp. no such file or directory' please help me thanks -- next part -- An HTML attachment was scrubbed... URL:

[Wien] tmp error

hello I have an error when make an interface.this error is '' rm: can not remove : in.tmp ,no such file or directory please help me -- next part -- An HTML attachment was scrubbed... URL: