[Wien] error: command /root/wien2k/lstart lstart.def failed

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[Wien] error: command /root/wien2k/lstart lstart.def failed

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[Wien] error: command /root/wien2k/lstart lstart.def failed

Correct youre structure ! You have a nearest neighbour distance of 1.5 Bohr's radii, the radius of hydrogen is 1 Bohr's radius, do you think youre structure is ok ? Ciao Gerhard Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gute