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zhangwb

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[½»Á÷] ¡¾ÇóÖú¡¿quantum espresso error: try larger cell factor

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y1ding

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zxzj05(½ð±Ò+1):лл»ØÌû½»Á÷ 2010-03-09 21:01
cell_factorÉè³É2¿´¿´£¬Ä¬ÈÏÖ»ÓÐ1.2
2Â¥2010-03-09 16:19:19
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beyondstar

ľ³æ (ÕýʽдÊÖ)

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zxzj05(½ð±Ò+1):лл»ØÌû½»Á÷ 2010-03-09 21:01
Ò²¿ÉÓпÉÄÜÊÇØÍÊÆ²»ºÃ
3Â¥2010-03-09 17:33:29
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zhangwb

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by beyondstar at 2010-03-09 17:33:29:
Ò²¿ÉÓпÉÄÜÊÇØÍÊÆ²»ºÃ

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then how to change the pseduopotential? thx!
4Â¥2010-03-10 02:24:30
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zhangwb

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by y1ding at 2010-03-09 16:19:19:
cell_factorÉè³É2¿´¿´£¬Ä¬ÈÏÖ»ÓÐ1.2

----------------
actually, I am trying for that, let's see. thanks for reply.
5Â¥2010-03-10 02:25:58
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