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[ÇóÖú] Materials Studio Åú´¦ÀíÇóÖú ÒÑÓÐ3È˲ÎÓë

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@echo on
cd F:\"shiwei Files"\Documents\"Pd-p-fcc-0 DMol3 GeomOpt"
call D:\"Program Files"\Accelrys\"Materials Studio 5.5"\etc\DMol3\bin\RunDMol3 -np 2 Pd-p-fcc-0 DMol3 GeomOpt
cd F:\"shiwei Files"\Documents\"Pd-p-fcc-30 DMol3 GeomOpt"
call D:\"Program Files"\Accelrys\"Materials Studio 5.5"\etc\DMol3\bin\RunDMol3 -np 2 Pd-p-fcc-30 DMol3 GeomOpt
pause

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jerkwin

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3?: Originally posted by jerkwin at 2013-04-20 11:08:30
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3Â¥: Originally posted by jerkwin at 2013-04-20 11:08:30
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ÉÏÒ»¸öÂÒÂëÁË- -Ó¦¸ÃÔõô×öѽ£¿ÎÒµãÁËÎÒµÄBATÒԺ󣬽ø³ÌÀïҲûÓÐdmol³öÏÖ
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jerkwin

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franch: ½ð±Ò+2, лл»ØÌû½»Á÷£¬£¬ 2013-04-22 21:10:44
È¥¶Á¶ÁC:\Program Files\Accelrys\Materials Studio 5.0\etc\DMol3\bin\RunDMol3.Readme
ÀïÃæ¸æËßÄãÔõôµ÷ÓÃDMol3ÁË
6Â¥2013-04-20 11:34:50
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kervinzhao

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@echo on

cd E:\xp-mydocuments\"Materials Studio Projects"\"mo-bcc-LDA-elastic2 Files"\Documents\"mo5 CASTEP Energy"
call C:\"Program Files"\Accelrys\"Materials Studio 5.0"\etc\CASTEP\bin\RunCASTEP -np 2 mo5

pause

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1366270500        progress                -1
1366270501        progress                100
1366270501        message        error        The file mo5.param is either not readable or missing
1366270501        status        new        failure-completed

¿ÉÊÇmo5.paramÊÇ´æÔڵİ¡
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7Â¥2013-04-20 12:32:37
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Ԭͥ

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
7Â¥: Originally posted by kervinzhao at 2013-04-20 12:32:37
ÎÒÊÇ×öCASTEPµÄÅú´¦Àí£¬Ò²ºÍÂ¥Ö÷Çé¿öÀàËÆ£¬
echo on

cd E:\xp-mydocuments\"Materials Studio Projects"\"mo-bcc-LDA-elastic2 Files"\Documents\"mo5 CASTEP Energy"
call C:\ ...

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8Â¥2013-04-20 14:40:41
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9Â¥2013-04-21 07:58:19
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kervinzhao

Ìú¸Ëľ³æ (Ö°Òµ×÷¼Ò)

ÌýÓêÂ¥Ö÷

ÒýÓûØÌû:
9¥: Originally posted by Ԭͥ at 2013-04-21 07:58:19
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