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zal7891

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liqizuiyang

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ÒýÓûØÌû:
3Â¥: Originally posted by zal7891 at 2015-01-15 08:56:50
¸Ðл»Ø¸´£¬Ìí¼Ótprnfor = .TRUE.ºóÔ­×ÓÉϵÄÁ¦ÏÔʾ³öÀ´ÁË£¬×÷ÓÃÔÚ¾§¸ñÉϵÄÁ¦ÄÜÏÔʾÂ𣿱ÈÈçÎҵĽṹÊÇ20 GPaϵģ¬ÄÇô×÷ÓÃÔÚ¾§¸ñÉϵÄÁ¦Ó¦¸ÃÊÇ20GPa£¿
     Forces acting on atoms (Ry/au):

     atom    1 t ...

Êä³öѹǿÌí¼Ótstress = .TRUE.
4Â¥2015-01-15 09:17:33
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liqizuiyang

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zal7891(ljw4010´ú·¢): ½ð±Ò+1, лл½»Á÷£¡ 2015-01-14 20:38:24
zal7891(ljw4010´ú·¢): ½ð±Ò+9, ллָµ¼½â´ð£¡ 2015-01-20 16:42:49
ÔÚCONTROLÏÂÃæÌí¼Ótprnfor = .TRUE.
2Â¥2015-01-14 18:42:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zal7891

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by liqizuiyang at 2015-01-14 18:42:40
ÔÚCONTROLÏÂÃæÌí¼Ótprnfor = .TRUE.

¸Ðл»Ø¸´£¬Ìí¼Ótprnfor = .TRUE.ºóÔ­×ÓÉϵÄÁ¦ÏÔʾ³öÀ´ÁË£¬×÷ÓÃÔÚ¾§¸ñÉϵÄÁ¦ÄÜÏÔʾÂ𣿱ÈÈçÎҵĽṹÊÇ20 GPaϵģ¬ÄÇô×÷ÓÃÔÚ¾§¸ñÉϵÄÁ¦Ó¦¸ÃÊÇ20GPa£¿
     Forces acting on atoms (Ry/au):

     atom    1 type  1   force =     0.00000000    0.00000000    0.00000000
     atom    2 type  1   force =     0.00000000    0.00000000    0.00000000
     atom    3 type  1   force =     0.00000000    0.00000001    0.00000000
     atom    4 type  1   force =     0.00000000   -0.00000001    0.00000000
ÎÒ˼¹ÊÎÒÔÚ£¡
3Â¥2015-01-15 08:56:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zal7891

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
4Â¥: Originally posted by liqizuiyang at 2015-01-15 09:17:33
Êä³öѹǿÌí¼Ótstress = .TRUE....

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