Dear wien2k users, We need to calculate the total energy of H2 molecule. Is there any reference in which it has been done using the code wien2k...or is there any guideline to do so?...
Any response in this regard will be helpful for us. Thanks in advance, with regards, -- Shamik Chakrabarti Senior Research Fellow Dept. of Physics & Meteorology Material Processing & Solid State Ionics Lab IIT Kharagpur Kharagpur 721302 INDIA
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