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mermaid1128

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½á¹¹ÓÅ»¯¹ý³ÌÖгöÏÖÈçÏ´íÎó:
from scale_h : error #         1
     Not enough space allocated for radial FFT: try restarting with a larger cell_factor.

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s20080718

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2Â¥2010-07-14 11:59:42
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mermaid1128

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
Originally posted by s20080718 at 2010-07-14 11:59:42:
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3Â¥2010-07-14 12:20:54
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×ÓÐéÎÚÓÐ5388

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4Â¥2010-07-14 12:26:56
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mermaid1128

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
Originally posted by ×ÓÐéÎÚÓÐ5388 at 2010-07-14 12:26:56:
ÄãµÄ¾§¸ñ³£Êýµ¥Î»ÊÇbohrÂð£¿ÁíÍâc/aÊÇ·ñд¶Ô£¬

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5Â¥2010-07-14 12:35:32
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µÈ´ýµÄÐÄ

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hedaors(½ð±Ò+1):лл»Ø¸´£¡ 2010-07-14 17:12:35
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waitingisbeautiful!
6Â¥2010-07-14 12:46:11
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dxcharlary

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hedaors(½ð±Ò+1):лл»Ø¸´£¡ 2010-07-14 17:12:43
ÔÚ&CELLÀïÃæÓÐÒ»¸ö²ÎÊý½Ðcell_factor£¬Ä¬ÈÏÊÇ1.2£¬°ÑËüÉè´óÒ»µã±ÈÈç1.5£¬1.8¾ÍÐÐÁË¡£ÏÂÃæÊÇʹÓÃÊÖ²áÖиòÎÊýµÄ˵Ã÷£º
cell_factor REAL
Default: 1.2D0  
Used in the construction of the pseudopotential tables.
It should exceed the maximum linear contraction of the
cell during a simulation.
7Â¥2010-07-14 13:16:21
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mermaid1128

ľ³æ (ÖøÃûдÊÖ)

ÔÚÓÅ»¯ÖгöÏÖÈçÏ´íÎóÊǺÎÔ­Òò:

Davidson diagonalization with overlap
p7_11543: (4399.007812) net_recv failed for fd = 4
p7_11543:  p4_error: net_recv read, errno = : 104
p3_11271: (4399.664062) net_recv failed for fd = 8
p3_11271:  p4_error: net_recv read, errno = : 110
p0_11131:  p4_error: net_recv read:  probable EOF on socket: 1


лл
8Â¥2010-07-14 14:32:18
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goldenfisher

½ð³æ (ÖøÃûдÊÖ)

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zzy870720z(½ð±Ò+1):ллÌáʾ 2010-07-14 18:18:42
ÒýÓûØÌû:
Originally posted by mermaid1128 at 2010-07-14 14:32:18:
ÔÚÓÅ»¯ÖгöÏÖÈçÏ´íÎóÊǺÎÔ­Òò:

Davidson diagonalization with overlap
p7_11543: (4399.007812) net_recv failed for fd = 4
p7_11543:  p4_error: net_recv read, errno = : 104
p3_11271: (4399.664062 ...

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9Â¥2010-07-14 18:06:37
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qdc19800214

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