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sunyang1988(½ð±Ò+2): ллָµã 2011-04-02 22:44:38
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Originally posted by ·¥Ä¾¹¤ at 2011-04-02 13:18:53:
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http://muchong.com/bbs/viewthread.php?tid=2386188
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Originally posted by zhangguangping at 2011-04-02 21:56:33:
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http://muchong.com/bbs/viewthread.php?tid=2386188
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ÄãºÃ ллÄãµÄ»ØÌû ÕâÁ½¸öÍøÖ·ÎÒ×Ðϸ¿´¹ýÁË ¿ÉÊÇÕâÀïûÓмÆËãÓÐÐ§ÊÆµÄ³ÌÐò ÎÒÔÚsiesta manuÉÏ¿´µ½ËµÒªÓóÌÐòIORHO
Instructs to write the total electrostatic potential,
de ned as the sum of the hartree potential plus the local pseudopotential, at the mesh
used by DHSCF, in file SystemLabel.VH. This file can be read by routine IORHO, which may be used by an application program in later versions.
Use: File SystemLabel.VH is only written, not read, by siesta.
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gzqdyouxia(½ð±Ò+2): ллÏêϸָµ¼ 2011-04-29 22:42:31
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Originally posted by ·¥Ä¾¹¤ at 2011-04-29 12:31:39:
ÄãºÃ ллÄãµÄ»ØÌû ÕâÁ½¸öÍøÖ·ÎÒ×Ðϸ¿´¹ýÁË ¿ÉÊÇÕâÀïûÓмÆËãÓÐÐ§ÊÆµÄ³ÌÐò ÎÒÔÚsiesta manuÉÏ¿´µ½ËµÒªÓóÌÐòIORHO
Instructs to write the total electrostatic potential,
de ned as the sum of the hartre ...

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