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awdawdawdd

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8Â¥: Originally posted by vasp001 at 2015-06-14 16:04:43
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TOTAL ELASTIC MODULI (kBar)
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ÄãÌù³öÀ´µÄÕâ¸öTOTAL ELATIC MODULI¾ÍÊǵ¯ÐÔ³£ÊýÁ˰¡£¬×¢ÒâXY=6 XZ=5 YZ=4 ¾ÍÐÐÁË
Ò»°ã¶Ô³ÆÐÔÔ½µÍ ¶ÀÁ¢±äÁ¿Ô½¶à£¬¾ßÌå¿´ J. F. Nye Physical Properties of Crystals  P140-141 µÄͼ±íÓÐÏêϸµÄ˵Ã÷
12Â¥2015-06-18 22:06:00
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foru110

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The message does not mean an error.
The procedure doing the evaluation of symmetry uses a numerical criterion (SYMPREC=1E-5)
to determine which atoms are symmetrically equivalent. When this criterion is too soft
the programm can find "false" symmetry and reports that "reciprocal lattice and k-lattice belong
to different class of lattices." To get rid of this message you can:
1) Switch off the symmetry (ISYM=0)
2) Make the treshold for detecting the symmetry more severe (SYMPREC=1E-8)
13Â¥2016-01-27 22:19:55
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