²é¿´: 3611  |  »Ø¸´: 12
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

happinesslyl

гæ (СÓÐÃûÆø)

[ÇóÖú] ¼Óµç³¡ÈçºÎ¼ÆË㹦º¯Êý£¿ ÒÑÓÐ2È˲ÎÓë

ÇëÎʸ÷룬¼ÓÍêµç³¡Ö®ºóÕæ¿ÕÄܼ¶»áÇãб£¬ÕâʱºòµÄÕæ¿ÕÄܼ¶Ôõôȷ¶¨ÄØ£¿»¹ÄÜË㹦º¯ÊýÂð£¿
¾²µçÊÆÈçͼËùʾ

¼Óµç³¡ÈçºÎ¼ÆË㹦º¯Êý£¿
1.JPG
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

DFT¼Óµç³¡

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

happinesslyl

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
6Â¥: Originally posted by yunqiyunluo at 2017-07-05 23:35:40
µ«ÊÇΪʲôÄãËãµÄÊÆ²»Âú×ãÖÜÆÚÐԱ߽çÌõ¼þ£¿Äã²ÎÊýÊÇÈçºÎÉèÖõģ¿¿ÉÒÔչʾһÏÂincarÂ𣿾ÓȻûÓÐÇ¿ÖÆ¼ÓÉϱ߽çÌõ¼þ£¿

ÎÒ×Ô¼ºËãµÄÒ²ÊÇÕâÑùµÄ
INCAR
9Â¥2017-07-06 15:05:08
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 13 ¸ö»Ø´ð

wuli8

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

¡­¡­¡­¡­

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

Ò»°ã OUTCAR ƒÈÊÇ¿´²»µ½ vacuum level
µ«~~ µ«ÊÇ
Ö»ÒªÄã½Ð VASP ×ö dipole correction
OUTCAR ƒÈÄã¾Í•þ¿´µ½ÏñÊÇß@˜ÓµÄ–|Î÷³ö¬F
grep vacuum OUTCAR
vacuum level on the upper side and lower side of the slab         6.278         4.919
¡­¡­¡­¡­
3Â¥2017-07-03 09:43:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

happinesslyl

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
3Â¥: Originally posted by wuli8 at 2017-07-03 09:43:47
Ò»°ã OUTCAR ƒÈÊÇ¿´²»µ½ vacuum level
µ«~~ µ«ÊÇ
Ö»ÒªÄã½Ð VASP ×ö dipole correction
OUTCAR ƒÈÄã¾Í•þ¿´µ½ÏñÊÇß@˜ÓµÄ–|Î÷³ö¬F
grep vacuum OUTCAR
vacuum level on the upper side and lower side of the sla ...

ÇëÎÊÕæ¿ÕÄܼ¶µ½µ×Ó¦¸ÃÑ¡ÄĸöÄØ£¿

·¢×ÔСľ³æAndroid¿Í»§¶Ë
4Â¥2017-07-05 11:15:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yunqiyunluo

Òø³æ (СÓÐÃûÆø)

¼Óµã³¡Ö®ºó£¬vasp¼ÆËãµÄʱºòÆäʵÔÚÕæ¿ÕÖÐÒ²ÊÇÓе糡µÄ£¬ËùÒÔÎÒ¾õµÃÄãÒªÈ¡Õæ¿ÕÄܼ¶£¬¿ÉÒÔÔÚ¶ÁÈ¡Õæ¿ÕÖÐijһµãÊÆÒÔºóÔÙ¼õÈ¥ÒòΪ¼Óµç³¡ÒýÆðµÄÊÆµÄ±ä»¯

·¢×ÔСľ³æIOS¿Í»§¶Ë
5Â¥2017-07-05 23:33:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 299Çóµ÷¼Á +4 15188958825 2026-03-25 4/200 2026-03-25 22:56 by 418490947
[¿¼ÑÐ] ¿¼Ñе÷¼Á +6 À´ºÃÔËÀ´À´À´ 2026-03-21 7/350 2026-03-25 22:43 by 418490947
[¿¼ÑÐ] 308Çóµ÷¼Á +5 īīĮ 2026-03-25 5/250 2026-03-25 22:19 by 544594351
[¿¼ÑÐ] 0854AI CV·½ÏòÕÐÊÕµ÷¼Á +4 ÕÂСÓã567 2026-03-23 4/200 2026-03-25 17:04 by CoderLoser
[¿¼ÑÐ] 278Çóµ÷¼Á +4 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-19 4/200 2026-03-25 11:01 by userper
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á£¬Çóµ¼Ê¦ÊÕ +7 ÌìÌìºÃÔËÀ´Éϰ¶° 2026-03-24 7/350 2026-03-24 20:26 by peike
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϺ½²ÄÁÏר317·ÖÇóµ÷¼Á +5 ըѽըѽըÊíÌõ 2026-03-23 5/250 2026-03-24 16:52 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 279·ÖÇóµ÷¼Á Ò»Ö¾Ô¸211 +18 chaojifeixia 2026-03-19 20/1000 2026-03-24 10:34 by dolphin_ycj
[¿¼²©] 26É격×Ô¼ö +3 whh869393 2026-03-24 3/150 2026-03-24 09:55 by 21018060
[¿¼ÑÐ] 327Çóµ÷¼Á +5 prayer13 2026-03-23 5/250 2026-03-23 22:11 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 269Çóµ÷¼Á +4 ÎÒÏë¶ÁÑÐ11 2026-03-23 4/200 2026-03-23 21:25 by pswait
[¿¼ÑÐ] 336»¯¹¤µ÷¼Á +4 Íõ´ó̹1 2026-03-23 5/250 2026-03-23 18:32 by allen-yin
[¿¼ÑÐ] 276Çóµ÷¼Á +3 YNRYG 2026-03-21 4/200 2026-03-23 08:31 by ×íÔÚ·çÀï
[¿¼ÑÐ] 293Çóµ÷¼Á +3 ÌÎÌÎWjt 2026-03-22 5/250 2026-03-22 22:21 by jiangpengfei
[¿¼ÑÐ] ʯºÓ×Ó´óѧ£¨211¡¢Ë«Ò»Á÷£©Ë¶²©Ñо¿Éú³¤ÆÚÕÐÉú¹«¸æ +3 Àî×ÓÄ¿ 2026-03-22 3/150 2026-03-22 21:01 by ÔõôÊÍ»³
[¿¼ÑÐ] ÉúÎïѧµ÷¼Á +5 Surekei 2026-03-21 5/250 2026-03-22 14:39 by tcx007
[¿¼ÑÐ] Çóµ÷¼Á +3 .m.. 2026-03-21 4/200 2026-03-21 16:25 by barlinike
[¿¼ÑÐ] 330Çóµ÷¼Á0854 +3 assdll 2026-03-21 3/150 2026-03-21 13:01 by ²«»÷518
[¿¼ÑÐ] 332Çóµ÷¼Á +3 ·ï»ËÔº¶¡Õæ 2026-03-20 3/150 2026-03-21 10:27 by luoyongfeng
[¿¼ÑÐ] Ò»Ö¾Ô¸ËÕÖÝ´óѧ²ÄÁÏÇóµ÷¼Á£¬×Ü·Ö315£¨Ó¢Ò»£© +5 sbdksD 2026-03-19 5/250 2026-03-20 22:10 by luoyongfeng
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û