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Atoms in file1: 22, Atoms in file2: 20
Points in file1: 414720, Points in file2: 338688
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xiangxiao

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Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
3Â¥: Originally posted by zsl_321123 at 2011-11-03 19:31:19
£Ð£Ï£Ó£Ã£Á£ÒÎļþÖеÄÉèÖÃÔõô±£³ÖÏàͬ£¿£¿Ô­×ÓÊýÒ²ÒªÏàͬÂð£¿×öÃܶȲî·Öʱ×ܵļõȥÿ¸öÔ­×ӵϹÊÇÿÖÖÔ­×Ó³ËÔ­×ÓÊý£¿£¿

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4Â¥2016-12-15 21:40:57
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furious410

½ð³æ (СÓÐÃûÆø)


¡ï
mazuju028(½ð±Ò+1): лл½»Á÷ 2011-04-03 18:56:48
dazao(½ð±Ò+10): 2011-04-12 16:05:43
NGX,NGY,NGZ
NGXF,NGYF,NGZF
2Â¥2011-04-03 18:07:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zsl_321123

Ìú³æ (ÕýʽдÊÖ)


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Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
£Ð£Ï£Ó£Ã£Á£ÒÎļþÖеÄÉèÖÃÔõô±£³ÖÏàͬ£¿£¿Ô­×ÓÊýÒ²ÒªÏàͬÂð£¿×öÃܶȲî·Öʱ×ܵļõȥÿ¸öÔ­×ӵϹÊÇÿÖÖÔ­×Ó³ËÔ­×ÓÊý£¿£¿
3Â¥2011-11-03 19:31:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
????? furious410 ????
????????c??????????? NGX??NGY??NGZ
?? INCAR ?§Þ???
NGX = xxx
NGY = xxx
NGZ = xxx
xxx ??"????"
??????????c??????

1. unit cell ????
2. ENCUT ????
3. ??????? core ??~ ?M???????

???????INCAR ????????]?§ßo NGX??NGY??NGZ
VASP ????^??? unit cell size ?c ENCUT ????§¥????a??NGX??NGY??NGZ
OUTCAR ???????? VASP ?Q?????
?????????§Ý??????P?S
VASP ?????? core ?????]?M??
? NGX??NGY??NGZ ?? core ??????????
??????f???????????? INCAR ????? NGX??NGY??NGZ
??VASP?????????????
????NGX??NGY??NGZ???? core ??????????
VASP ??????????{??


?????????????c????§³?????
NGX??NGY??NGZ ????????
5Â¥2016-12-16 16:40:57
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
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