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hshmama

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10Â¥: Originally posted by likai0106 at 2011-11-09 11:02:41:
.shÊÇlinux shell½Å±¾£¬ÓÃÀ´Êý¾Ý´¦ÀíºÍÅú´¦ÀíµÈ£¬Äã¿´¿´ÄãµÄÄǸöENCUTµÄ½Å±¾ÊDz»ÊÇ´øÓÐ.shµÄºó׺°É¡£¶øshÊÇÓÃÀ´ÔËÐÐ.sh½Å±¾ÎļþµÄÃüÁî¡£

ÊÇÊäÈëÃüÁîsh ENCUT.sh Âð ¸ü¼ÓÂÒÁË
rm: cannot remove `WAVECAR': No such file or directory
ENCUT = 150 eV
ENCUT: line 12: vasp: command not found

real    0m0.003s
user    0m0.000s
sys     0m0.000s
grep: OUTCAR: No such file or directory
ENCUT = 200 eV
ENCUT: line 12: vasp: command not found

real    0m0.002s
user    0m0.000s
sys     0m0.004s
grep: OUTCAR: No such file or directory
ENCUT = 250 eV
ENCUT: line 12: vasp: command not found

real    0m0.002s
user    0m0.000s
sys     0m0.000s
grep: OUTCAR: No such file or directory
ENCUT = 300 eV
ENCUT: line 12: vasp: command not found

real    0m0.002s
user    0m0.000s
sys     0m0.000s
grep: OUTCAR: No such file or directory
ENCUT = 350 eV
ENCUT: line 12: vasp: command not found

real    0m0.002s
user    0m0.000s
sys     0m0.000s
grep: OUTCAR: No such file or directory
ENCUT = 400 eV
ENCUT: line 12: vasp: command not found

real    0m0.002s
user    0m0.004s
sys     0m0.000s
11Â¥2011-11-09 11:14:12
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likai0106

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zzy870720z(½ð±Ò+2): ллÌáʾ 2011-11-09 12:42:03
hshmama(½ð±Ò+1): ллÁË ÈÈÐÄÈË 2011-11-09 14:16:40
ÒýÓûØÌû:
11Â¥: Originally posted by hshmama at 2011-11-09 11:14:12:
ÊÇÊäÈëÃüÁîsh ENCUT.sh Âð ¸ü¼ÓÂÒÁË
rm: cannot remove `WAVECAR': No such file or directory
ENCUT = 150 eV
ENCUT: line 12: vasp: command not found

real    0m0.003s
user    0m0.000s
sys     0m ...

ENCUT: line 12: vasp: command not foundÕâÐÐÌáʾÄãvaspÃüÁîûÓУ¬Ê×ÏÈÈ·¶¨Äã°²×°ÁËvasp£¬Èç¹ûÄãµÄvaspûÓÐÔÚ/binÕâ¸öĿ¼Ï£¬°ÑvaspµÄ¿ÉÖ´ÐгÌÐò¾ÍÊÇvaspÄǸöÎļþ·Åµ½µ±Ç°Ä¿Â¼Ï£¬Ö®ºóÔËÐнű¾¿´¿´¡£
12Â¥2011-11-09 11:20:53
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Í­³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
11Â¥: Originally posted by hshmama at 2011-11-09 11:14:12
ÊÇÊäÈëÃüÁîsh ENCUT.sh Âð ¸ü¼ÓÂÒÁË
rm: cannot remove `WAVECAR': No such file or directory
ENCUT = 150 eV
ENCUT: line 12: vasp: command not found

real    0m0.003s
user    0m0.000s
sys     0m0. ...

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13Â¥2014-08-12 21:10:03
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Í­³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
9Â¥: Originally posted by mazuju028 at 2011-11-09 11:00:51
time vasp¸Ä³ÉÄã»ú×ÓÉÏÔËÐÐvaspµÄÃüÁîÊÔÊÔ£»

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14Â¥2014-08-12 21:11:08
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Thebestthingtodowhenenteringunknownterritoryissmile.
15Â¥2014-10-30 18:59:40
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yh3166

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
15Â¥: Originally posted by Ç¡Èç´Ëʱ at 2014-10-30 18:59:40
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chmod +x ./encut

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