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Tian
how to transform .chk file to .wfn or .wfx file
Mest
Dear frend ,
Think you a lot WAWA , you are a very helpful person , I dont understand what you say because I am not a theoretical person !! So I can't find a solution for this problem !! hope the best and success for you
Mest
Dear all,
Hope we are ding fine , I am a PHD student who works with a team in Grenoble France who developes organic materials for photovoltaic applications, recently we developed four organic materials and to evaluate our work we did a theoretical study to confirm the experience !! since I do not understand how to do the simulations, I ask theoretical friends to simulate for me the optical spectrum and orbitals moleculars ! I received a reversion from review of the journal to plot Electron Density Difference and not orbitals moleculars to show the charge transfer and he told me to do it with Multiwfn and cite it in Computational details section !! so I did a search on this software and I join this forum and I find much helpful peopel here !! can we help me to draw the Electron Density Difference S0→S1 for me to revise my paper and will accept !! If I find one I will join the input and output files and hope that I receive an answer that's makes me happy .
Best regards,
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