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jttjtl

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[½»Á÷] ¡¾ÇóÖú¡¿internal error insubroutine LATTYP ÒÑÓÐ2È˲ÎÓë

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VERY BAD NEWS! internal error in subroutine LATTYP:
Cellvolume is zero ! -3

POSCAR£º
System HfSiO4
5.530669   
-3.290000200271601       3.290000200271610       2.990000247955320
3.290000200271610      -3.290000200271609       2.990000247955320
3.290000200271610       3.290000200271610      -2.990000247955320
8        2        2
Direct
0.2587000057101248   0.1930000036954875   0.0657000020146365
0.6273000016808508   0.1930000036954884   0.4342999979853636
0.1930000036954875   0.6273000016808511   0.9342999979853627
0.1930000036954883   0.2587000057101249   0.5657000020146374
0.3726999983191490   0.8069999963045127   0.5657000020146374
0.7412999942898751   0.8069999963045120   0.9342999979853627
0.8069999963045117   0.3726999983191492   0.0657000020146366
0.8069999963045125   0.7412999942898754   0.4342999979853635
0.6249999999999999   0.3750000000000002   0.2500000000000001
0.3750000000000000   0.6250000000000002   0.7500000000000001
0.8749999999999999   0.1250000000000002   0.7500000000000002
0.1249999999999999   0.8750000000000001   0.2499999999999999

KPOINTS£º
KPOINTS
0
gamma
5  5  5
0. 0. 0.
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jttjtl

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jttjtl(½ð±Ò+2): 2010-07-21 19:01:48
jttjtl(½ð±Ò+12): 2010-10-20 10:13:13
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