<html><div style='background-color:'><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 like Gallium. How to calculate it, 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 with every time taking different lattice constants e.g by taking 10 to 15 angstrom mean 17.00 bohr to about 30 bohr but fail to go ahead. where is problem, I will appreciate if any one guide me in detail and point out my actual problem.</DIV>
<DIV class=RTE>whatever be the inputs 17 Bohrs or 30 Bohrs, every time when I run SCF, at once message of "BAD HEADER" appears and calculation stops with errors in LAPW0 file.</DIV>
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<DIV class=RTE>Thanking in Advance</DIV>
<DIV class=RTE>R. Ahmed</DIV>
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