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kattygirl

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wave_orthonormalise_overlap_slice: zpotrf failed (overlap is not positive definite); check your USPs.
Current trace stack:
wave_orthonormalise_over_slice
wave_Sorthonormalise_slice
electronic_find_eigenslice
electronic_iter_diag_H
electronic_minimisation
check_elec_ground_state
castep

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Robot (super robot)

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[½Ìʦ֮¼Ò] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8.O.55.1.O.54,¿ÆÄ¿ÆëÈ«,¿ÉÙ¤¼± +3 KXLV3nuBVBY7 2026-08-07 5/250 2026-08-08 14:07 by oEVWOejN9taj
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[»ù½ðÉêÇë] »ù½ðÖÐÁË +14 laoda193707 2026-08-06 14/700 2026-08-08 00:23 by ʵÑéС°×ha
[»ù½ðÉêÇë] ¹ØÓÚfilecode +4 ²¼²¼ºÍÒ»¶þ 2026-08-07 7/350 2026-08-07 22:55 by zhanghaozhu
[»ù½ðÉêÇë] ÓéÀÖ +6 Tide man 2026-08-03 6/300 2026-08-07 22:40 by Ìúñ×ÓÅ©Ãñ
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[»ù½ðÉêÇë] filecode +8 ²¼²¼ºÍÒ»¶þ 2026-08-06 11/550 2026-08-06 20:41 by tangpu318
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