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akun22951

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Error in PHONON_CALCULATE_STD_KPOINTS.  DFPT convergence failed - aborting
Current trace stack:
phonon_calculate_std_kpoints
phonon_calculate
castep
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zhang668

ľ³æ (ÕýʽдÊÖ)


¡ï
bingmou(½ð±Ò+1):¸Ðл·ÖÏí 2011-01-08 13:11:31
akun22951(½ð±Ò+2): 2011-01-09 19:27:52
DFPT²»ÊÕÁ²£¬ÄãµÄ½á¹¹Ôõô½¨µÄ£¬ÓÅ»¯¹ýÁËÂð?
2Â¥2011-01-08 12:56:44
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frank_zhan

½ð³æ (ÕýʽдÊÖ)


¡ï
bingmou(½ð±Ò+1):¸Ðл½»Á÷ 2011-01-08 20:15:31
akun22951(½ð±Ò+2): 2011-01-09 19:28:04
ÒýÓûØÌû:
Originally posted by akun22951 at 2011-01-08 10:30:53:
ÎÒÔÚÓÃcastep½øÐÐÉù×Ó¼ÆËãµÄʱºòÀÏÊdzöÏÖÈçÏ´íÎ󣬼ÆËãÍê³É²»ÁË£¬·Ç³£¿àÄÕ£¬»¹ÇëÖªµÀµÄÅóÓѸøÓèÖ¸µ¼£¬¸Ð¼¤²»¾¡£¡
Error in PHONON_CALCULATE_STD_KPOINTS.  DFPT convergence failed - aborting
Current trace ...

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3Â¥2011-01-08 20:07:45
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akun22951

Òø³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by zhang668 at 2011-01-08 12:56:44:
DFPT²»ÊÕÁ²£¬ÄãµÄ½á¹¹Ôõô½¨µÄ£¬ÓÅ»¯¹ýÁËÂð?

½á¹¹ÒѾ­ÓÅ»¯¹ý£¬¾«¶ÈΪultra-fine.²»ÖªµÀÔõô»ØÊ£¬×î½üÒ»Ö±³öÏÖÕâ¸öÎÊÌ⣬ºÜÊÇ¿àÄÕ¡£ÇëÎÊ»¹¿ÉÒÔͨ¹ýÆäËûʲô·½·¨À´Ïû³ýÕâ¸ö´íÎó£¿
4Â¥2011-01-09 19:27:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

СÈÍ1

ľ³æ (ÕýʽдÊÖ)


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Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
Ó¦¸ÃÊÇÀë×ÓʵÓÅ»¯¾«¶È²»¹»ÒýÆðµÄ°É
5Â¥2013-06-27 17:57:33
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xiaohe667788

Í­³æ (СÓÐÃûÆø)


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6Â¥2013-06-27 20:37:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

àÅàÅÄØ

гæ (СÓÐÃûÆø)


ÒýÓûØÌû:
4Â¥: Originally posted by akun22951 at 2011-01-09 19:27:28
½á¹¹ÒѾ­ÓÅ»¯¹ý£¬¾«¶ÈΪultra-fine.²»ÖªµÀÔõô»ØÊ£¬×î½üÒ»Ö±³öÏÖÕâ¸öÎÊÌ⣬ºÜÊÇ¿àÄÕ¡£ÇëÎÊ»¹¿ÉÒÔͨ¹ýÆäËûʲô·½·¨À´Ïû³ýÕâ¸ö´íÎó£¿...

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7Â¥2018-11-22 17:07:05
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2018-11-25 11:57   »Ø¸´  
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