²é¿´: 4590  |  »Ø¸´: 12

lzlgcdc

½ð³æ (ÕýʽдÊÖ)

[ÇóÖú] ¸÷λ´óÏÀ£¬vaspϼÆËãÍêÄÜ´øÈçºÎ×÷ͼ

ÔÚ×öÍêÄÜ´ø¼ÆËãºó  ÈçºÎ»­Í¼  ÎÒÏÂÔØÒ»¸öp4vasp ´ò¿ªvasp.xmlºóµÄͼÊÇÕâÑùµÄ

ÕâÊÇ̬ÃܶȰɠ ÄÜ´øÔõôû³öÀ´¡­¡­  

Çë¸÷λ´óÏÀ°ïÎÒ¿´¿´  Ð»Ð»

2.jpg


ÄÜ´ø³ÉÕâÑùÁË  ÓеãÔΡ­¡­¡­¡­

3.jpg
È»ºó±ä»»ÓÖ³ÉÕâÑùÁË  ÔõôÄܵõ½±È½ÏºÏÀíµÄÄÜ´ø°¡ ¸÷λ´óÏÀ

4.jpg



[ Last edited by lzlgcdc on 2012-12-13 at 19:53 ]
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

Better Man vasp ´ý¿´µÄÎÄÕÂ

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

xwangan

½ð³æ (³õÈëÎÄ̳)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
fzx2008: ½ð±Ò+2, ллָ½Ì£¡ 2012-12-15 16:05:09
lzlgcdc: ½ð±Ò+2, ¡ï¡ï¡ïºÜÓаïÖú, лл´óÏÀ 2013-04-19 17:33:07
´ÓÕâÀï¸Ð¾õÄãÊÇÓÃDOS¼ÆËã²½ÖеÄvasprun.xml£¬ÕâÀïȷʵ¿ÉÒÔ°æDOSͼ¡£µ«ÊÇÈôÏëµÃµ½ÄÜ´øÔò±ØÐëÁíÍâÉèÖø߶ԳƵ㣬±ÈÈçG, H, N, P, NµãµÈ£¬ÊÓ¾ßÌåÇé¿ö¶ø¶¨£¬ÔÙ½øÐй̶¨Ô­×ÓλÖüÆËã¡£Òâ˼¾ÍÊÇ˵ÄãµÃµ½ÁË×ܵÄdispersion relationÁËÖ®ºó»¹µÃ°ÑBrillouin zone ÆÊ¿ªµÃµ½¾ßÌåÏßÉϵÄÄÜ´øÍ¼¡£

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

Tomorrowisanotherday
2Â¥2012-12-14 14:48:16
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lzlgcdc

½ð³æ (ÕýʽдÊÖ)

ËÍÏÊ»¨Ò»¶ä
ÒýÓûØÌû:
2Â¥: Originally posted by xwangan at 2012-12-14 14:48:16
´ÓÕâÀï¸Ð¾õÄãÊÇÓÃDOS¼ÆËã²½ÖеÄvasprun.xml£¬ÕâÀïȷʵ¿ÉÒÔ°æDOSͼ¡£µ«ÊÇÈôÏëµÃµ½ÄÜ´øÔò±ØÐëÁíÍâÉèÖø߶ԳƵ㣬±ÈÈçG, H, N, P, NµãµÈ£¬ÊÓ¾ßÌåÇé¿ö¶ø¶¨£¬ÔÙ½øÐй̶¨Ô­×ÓλÖüÆËã¡£Òâ˼¾ÍÊÇ˵ÄãµÃµ½ÁË×ܵÄdispersion  ...

´óÏÀ ÎÒÕâ¸öºóÃæµÄͼÊÇÔÚ KµãÈ¥ 0 0 0  ¡ª¡ª 0  0  0.5   Ê±ÖмäÈ¡30¸öµã ʱºò»­³öµÄÄÜ´øÍ¼  ¿´×ŹֵֹĠ ²»ÖªµÀÓÐûÓÐʲôÎÊÌâ

È»ºó¾ÍÊÇISPINÔÚÓÅ»¯µÄʱºòûÓÐÉèÖã¬ÄÇô֮ºóµÄ¸÷ÖÖ¼ÆËãµÄʱºò»¹¿ÉÒÔÌí¼ÓÕâ¸ö²ÎÊý½øÈ¥Âð    лл´óÏÀ
3Â¥2012-12-14 19:42:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lzlgcdc

½ð³æ (ÕýʽдÊÖ)

ÄÄλ´óÏÀ°ïÎÒ¿´¿´ Õâ¸öÄÜ´øÊÇÔõô»ØÊ ÓÐµãÆæ¹Ö°¡
4Â¥2012-12-15 15:52:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xianxianlu

Í­³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
fzx2008: ½ð±Ò+3, ллָ½Ì£¡ 2012-12-16 10:13:25
lzlgcdc: ½ð±Ò+3, ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸, лл´óÏÀ 2013-04-19 17:33:23
ÄÜ´øµÄ¼ÆËãÐèÒªÊ×ÏÈÈ·¶¨¶Ô³ÆÐÔ£¬ÔٰѸ߶ԳÆÐԵĵãµÄÄܼ¶Á¬½ÓÆðÀ´ÐγÉ·¾¶£¨PATH£©¡£
ÄÜ´ø¼ÆËã·ÖΪÁ½²½£º
£¨1£©Ê×ÏÈÈ·¶¨Ëؾ§°û£¬È·¶¨¶Ô³ÆÐÔ£¬½øÐи߾«¶Èµ¥µã¼ÆË㣬
£¨2£©È·¶¨ÄÜ´øµÄ·¾¶£¬½øÐзÇ×ÔÇ¢³¡¼ÆË㣬µÃµ½ÑØÄÜ´øÂ·¾¶µÄÄܼ¶£¬
£¨3£©»æ³öÄܼ¶µÄÁ¬Ïßͼ¼´ÎªÄÜ´øÍ¼¡£
Èç¹û¼ÆËãÓÐÀ§ÄÑ£¬²Î¼ûÔÚÏßVASP¹¤¾ßÏ䣬http://www.scicloud.co/model/vasp
ʹÓÃACONVASPÈ·¶¨¼ÆËã·¾¶¡£
Á¿×Ó»¯Ñ§Óë¼ÆË㻯ѧ
5Â¥2012-12-15 19:58:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lzlgcdc

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
5Â¥: Originally posted by xianxianlu at 2012-12-15 19:58:15
ÄÜ´øµÄ¼ÆËãÐèÒªÊ×ÏÈÈ·¶¨¶Ô³ÆÐÔ£¬ÔٰѸ߶ԳÆÐԵĵãµÄÄܼ¶Á¬½ÓÆðÀ´ÐγÉ·¾¶£¨PATH£©¡£
ÄÜ´ø¼ÆËã·ÖΪÁ½²½£º
£¨1£©Ê×ÏÈÈ·¶¨Ëؾ§°û£¬È·¶¨¶Ô³ÆÐÔ£¬½øÐи߾«¶Èµ¥µã¼ÆË㣬
£¨2£©È·¶¨ÄÜ´øµÄ·¾¶£¬½øÐзÇ×ÔÇ¢³¡¼ÆË㣬µÃµ½ÑØ ...

´óÏÀÄãºÃ  ÎÒÓÃÕâ¸ö¹¤¾ßÏäÉÏ»æÖÆÁËÄÜ´øÓëP4VASPÉϵÄÄÜ´ø²î±ð±È½Ï´ó¡­¡­²»ÖªÊÇʲôԭÒò
6Â¥2012-12-15 22:06:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xianxianlu

Í­³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï
fzx2008: ½ð±Ò+3, ллָ½Ì£¡ 2012-12-16 10:13:59
Èç¹ûÄãÊǰ´ÕÕVASP¹¤¾ßÏäÉϵÄÁ½²½¼ÆËãµÃµ½µÄvasprun.xmlÎļþ»æÍ¼£¬Ö»ÒªÒýÓÃaconvaspµÄÎÄÏ×¼´¿É¡£
http://dx.doi.org/10.1016/j.commatsci.2010.05.010
ÄÜ´øµÄ·¾¶ÊÇÁ¬½Ó¸ß¶Ô³ÆÐÔµãÖ®¼äµÄÁ¬Ïߣ¬¿ÉÒÔÕâÑùÁ¬Ò²¿ÉÒÔÄÇÑùÁ¬£¬¶¼ÕýÈ·¡£
aconvaspÁ¬µÄ·¾¶ÊÇÏà¶Ô×îÍêÕûµÄ¡£

²»ÖªµÀÄãÊÇËã¶ÔÁË£¬»­µÃ²»¶Ô»¹ÊDZðµÄʲô¡£

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

Á¿×Ó»¯Ñ§Óë¼ÆË㻯ѧ
7Â¥2012-12-16 09:18:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lzlgcdc

½ð³æ (ÕýʽдÊÖ)

ËÍÏÊ»¨Ò»¶ä
ÒýÓûØÌû:
7Â¥: Originally posted by xianxianlu at 2012-12-16 09:18:54
Èç¹ûÄãÊǰ´ÕÕVASP¹¤¾ßÏäÉϵÄÁ½²½¼ÆËãµÃµ½µÄvasprun.xmlÎļþ»æÍ¼£¬Ö»ÒªÒýÓÃaconvaspµÄÎÄÏ×¼´¿É¡£
http://dx.doi.org/10.1016/j.commatsci.2010.05.010
ÄÜ´øµÄ·¾¶ÊÇÁ¬½Ó¸ß¶Ô³ÆÐÔµãÖ®¼äµÄÁ¬Ïߣ¬¿ÉÒÔÕâÑùÁ¬Ò²¿ÉÒÔÄÇÑù ...

´óÏÀ  ¾ÍÊÇÍøÕ¾ÉϰÑPOSCARÊäÈë  Ëü»áÉú³ÉÄÜ´øµÄ¸ß¶Ô³ÆµãÊÇÂð ÎÒÊÔһϠ Ð»Ð»
8Â¥2012-12-16 20:07:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yinhanqing

½ð³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

ÒýÓûØÌû:
8Â¥: Originally posted by lzlgcdc at 2012-12-16 20:07:52
´óÏÀ  ¾ÍÊÇÍøÕ¾ÉϰÑPOSCARÊäÈë  Ëü»áÉú³ÉÄÜ´øµÄ¸ß¶Ô³ÆµãÊÇÂð ÎÒÊÔһϠ Ð»Ð»...

Â¥Ö÷ÎÒµÄÄÜ´øÍ¼¸úÄãÒ»Ñù¡£¡£¸Ð¾õ¾ÍÏñ°Ñijһ²¿·Ö·Å´óÁ˵ÄÑù×Ó£¬£¬ÏÖÔÚÔÚÎÒ×Ô¼ºµÄµçÄÔÉÏҲû½â¾öÕâ¸öÎÊÌ⣬ÎҵĵçÄÔÊÇXPµÄ£¬ÎÒÓÃʦÐֵĵçÄÔ£¨WIN7£©µÄ¾ÍûÓÐÎÊÌ⣬¿ÉÒÔÕý³£»­³öÄÜ´øÍ¼£¬ÇëÎÊÄúµÄÎÊÌâÏÖÔÚ½â¾öÁËÂð£¿
9Â¥2013-01-05 20:18:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lzlgcdc

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
9Â¥: Originally posted by yinhanqing at 2013-01-05 20:18:27
Â¥Ö÷ÎÒµÄÄÜ´øÍ¼¸úÄãÒ»Ñù¡£¡£¸Ð¾õ¾ÍÏñ°Ñijһ²¿·Ö·Å´óÁ˵ÄÑù×Ó£¬£¬ÏÖÔÚÔÚÎÒ×Ô¼ºµÄµçÄÔÉÏҲû½â¾öÕâ¸öÎÊÌ⣬ÎҵĵçÄÔÊÇXPµÄ£¬ÎÒÓÃʦÐֵĵçÄÔ£¨WIN7£©µÄ¾ÍûÓÐÎÊÌ⣬¿ÉÒÔÕý³£»­³öÄÜ´øÍ¼£¬ÇëÎÊÄúµÄÎÊÌâÏÖÔÚ½â¾öÁËÂð£¿...

·ÅСÁ˾ͺÃÁË
10Â¥2013-04-19 17:34:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ lzlgcdc µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] »¯Ñ§µ÷¼Á0703 +7 °¡ÎÒÎÒµÄ 2026-03-11 7/350 2026-03-15 23:03 by ÁèǧËÌ111
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 3/150 2026-03-15 17:32 by СÎïÀí»¯Ñ§
[¿¼ÑÐ] 255Çóµ÷¼Á +3 Àî¼Î»Û£¬ 2026-03-12 4/200 2026-03-14 16:58 by ÓÐÖ»ÀêÅ«
[¿¼ÑÐ] 297Çóµ÷¼Á +4 ѧº£Æ¯²´ 2026-03-13 4/200 2026-03-14 11:51 by ÈÈÇéɳĮ
[¿¼ÑÐ] 2026¿¼Ñе÷¼Á+±¾¿ÆÑӱߴóѧ+ɽ¶«´óѧ+ÉúÎﻯѧÓë·Ö×ÓÉúÎïѧ+ÓÐÏîÄ¿¾­Ñé +3 ccdsscjy 2026-03-09 6/300 2026-03-14 02:14 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£´ó070303£¬338·Ö£¬Çóµ÷¼Á +4 dadawaf 2026-03-10 5/250 2026-03-14 01:20 by lsw010101
[¿¼ÑÐ] 0856²ÄÁÏÓ뻯¹¤309·ÖÇóµ÷¼Á +6 ZyZy¡­¡­ 2026-03-10 6/300 2026-03-14 00:38 by JourneyLucky
[¿¼ÑÐ] bÇø»·¾³¹¤³ÌÇóµ÷¼Á +4 Maps1 2026-03-10 6/300 2026-03-14 00:23 by JourneyLucky
[¿¼ÑÐ] 337Ò»Ö¾Ô¸»ªÄÏÀí¹¤0805²ÄÁÏÇóµ÷¼Á +7 mysdl 2026-03-11 9/450 2026-03-13 22:43 by JourneyLucky
[¿¼ÑÐ] ¿¼Ñе÷¼Á +4 ·Ò´ï46 2026-03-12 4/200 2026-03-13 16:04 by ruiyingmiao
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖÐʦ·¶071000£¬325Çóµ÷¼Á +5 RuitingC 2026-03-12 5/250 2026-03-13 10:43 by hyswxzs
[¿¼ÑÐ] 070303Ò»Ö¾Ô¸Î÷±±´óѧѧ˶310ÕÒµ÷¼Á +3 dÈçÔ¸Éϰ¶ 2026-03-13 3/150 2026-03-13 10:43 by houyaoxu
[¿¼ÑÐ] 290Çóµ÷¼Á +3 ADT 2026-03-13 3/150 2026-03-13 10:19 by peike
[¿¼ÑÐ] »¯¹¤Ñ§Ë¶306Çóµ÷¼Á +9 42838695 2026-03-12 9/450 2026-03-13 10:16 by houyaoxu
[¿¼²©] ¸£ÖÝ´óѧÑî»ÆºÆ¿ÎÌâ×éÕÐÊÕ2026Äêרҵѧλ²©Ê¿Ñо¿Éú£¬2026.03.20½ØÖ¹ +3 Xiangyu_ou 2026-03-12 3/150 2026-03-13 09:36 by duanwu655
[¿¼ÑÐ] 341Çóµ÷¼Á +4 µ·µ°ÖíÖí 2026-03-11 4/200 2026-03-12 14:47 by ruiyingmiao
[¿¼²©] ¶Á²©ÉêÇë +5 ¸Ðdd 2026-03-10 7/350 2026-03-11 17:02 by QGZDSYS
[¿¼ÑÐ] µ÷¼Á +5 ºÇßíŶ»í 2026-03-10 5/250 2026-03-10 22:00 by 28375m
[¿¼ÑÐ] 085602»¯¹¤Çóµ÷¼Á +7 ¶­boxing 2026-03-10 7/350 2026-03-10 17:07 by BruceLiu320
[¿¼ÑÐ] Ò»Ö¾Ô¸£ºÎ人Àí¹¤£¬²ÄÁϹ¤³Ì£¬Ó¢¶þÊý¶þ ×Ü·Ö314 +3 2202020125 2026-03-10 4/200 2026-03-10 13:54 by xiongyaxuan
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û