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Warning: electronic minimisation did not converge during finite basis set correction. ******************************************************** Checkpoint file cannot be written. Error calculate_finite_basis : Convergence failed when doing finite basis set correction. Current trace stack: calculate_finite_basis_corr check_elec_ground_state castep ΪʲôÓÐÕâ¸ö¾¯¸æÁË Ó¢Óﲻ̫ºÃ ¿´help¿´°ëÌìҲûŪÃ÷°× |
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sunyang1988: ½ð±Ò+1, лл½»Á÷ 2012-07-23 15:04:29
sunyang1988: ½ð±Ò+1, лл½»Á÷ 2012-07-23 15:04:29
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