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byin(½ð±Ò+5):лл²ÎÓë
gzqdyouxia(½ð±Ò+1): ллÌáʾ 2011-09-23 12:05:26
2Â¥2011-09-23 11:29:48
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byin

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2Â¥: Originally posted by liangab_234620 at 2011-09-23 11:29:48:
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gzqdyouxia(½ð±Ò+1): ллÌáʾ 2011-09-23 19:28:20
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byin

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4Â¥: Originally posted by liangab_234620 at 2011-09-23 15:44:48:
NPAR±ØÐë=1²ÅÄܼÆËãsite-projected£¬ÕâÊÇVASP³ÌÐòÄÚ²¿È±ÏÝ¡£ÊÖ²áÉÏÓÐ˵

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byin

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1Â¥: Originally posted by uuv2010 at 2011-10-01 14:49:41:
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LORBIT=12
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ISMEAR=1
SIGMA=0.20
#------------------------
========================



NPAR=1£¬´Å¾Ø2.026
========================
PREC=high
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MAGMOM=2*3
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ENCUT=600
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#------------------------
RWIGS=1.27
NPAR=1
#LORBIT=12
#------------------------
ISMEAR=1
SIGMA=0.20
#------------------------
=====================
7Â¥2011-10-01 17:36:13
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youzhizhe(½ð±Ò+2): лл½»Á÷¡£ 2011-10-01 20:56:08
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7Â¥: Originally posted by byin at 2011-10-01 17:36:13:
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If the RWIGS values is supplied and LORBIT<10, the spd- and site projected wavefunction character of each band is evaluted, and the local partial DOS is calculated. If LORBIT>=10, RWIGS is ignored.
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[ Last edited by uuv2010 on 2011-10-1 at 18:13 ]
8Â¥2011-10-01 18:10:46
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byin

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8Â¥: Originally posted by uuv2010 at 2011-10-01 18:10:46:
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If the RWIGS values is supplied and LORBIT<10, the spd- and site projected wavefunction character of each ban ...

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byin(½ð±Ò+40): 2011-10-01 20:23:00
youzhizhe(½ð±Ò+1): лл½»Á÷¡£ 2011-10-01 20:56:18
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10Â¥2011-10-01 20:12:48
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gougou531

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byin

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ÒýÓûØÌû:
10Â¥: Originally posted by uuv2010 at 2011-10-01 20:12:48:
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byin11Â¥
2011-10-01 20:21   »Ø¸´  
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10Â¥: Originally posted by uuv2010 at 2011-10-01 20:12:48: ÄãÓõÄvaspÊÇÄĸö°æ±¾£¿

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