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<DIV class=RTE>Dear All Wien2k User and developers</DIV>
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<DIV class=RTE>I am trying to calculate total energy of individual atoms for the purpose of cohesive energy like Gallium. For this purpose,I have read mailing list and FAQ about the calculation of total energy of individual atoms and following the instructions given in FAQ and mailing list. I have tried this calculation many times.Some I took lattice parameter 17.00 Bohr and some time about 30 bohr but every time after intialization,when I click run SCF, at once message of "BAD HEADER" appears and calculation stops with errors in LAPW0 file. Please guide me how I proceed and fix my problem.</DIV>
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<DIV class=RTE>Thanking in Advance</DIV>
<DIV class=RTE>Rashid. Ahmed</DIV></DIV></div></html>