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Final energy, E             =  -1116.810664825     eV
Final free energy (E-TS)    =  -1116.822988177     eV
(energies not corrected for finite basis set)

NB est. 0K energy (E-0.5TS)      =  -1116.816826501     eV

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Error writing wavefunction coefficients to file in wave_page
Current trace stack:
wave_page
wave_initialise_wv
secondd_force_constant_matrix
phonon_calculate
castep

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yxl7016(½ð±Ò+2): 2010-10-21 11:51:45
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zxzj05(½ð±Ò+1):лл½»Á÷ 2010-10-21 11:40:40
yxl7016(½ð±Ò+1): 2010-10-21 11:51:03
yxl7016(½ð±Ò+1): 2011-03-03 10:48:33
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mazuju028(½ð±Ò+1):лл½»Á÷ 2010-10-21 11:48:58
yxl7016(½ð±Ò+1): 2010-10-21 11:51:08
yxl7016(½ð±Ò+1): 2011-03-03 10:48:25
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