²é¿´: 5895  |  »Ø¸´: 56
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

cenwanglai

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

ÀϺÍɽâ«ËöÅɾŶÎ

ÓÅÐã°æÖ÷

[½»Á÷] ¡¾µÚÒ»ÐÔÔ­Àí»î¶¯Ìù¡¿VASP ¹Ù·½ÊÖ²áѧϰ»î¶¯ ÒÑÓÐ31È˲ÎÓë

×÷Ϊ³õѧÕߣ¬µ±ÄãÃæ¶Ô¡°ºÆÈçÑ̺£¡±µÄTag²»ÖªËù´ëµÄʱºò£¬ÇëÄã²ÎÕÕmanual£»

×÷ΪÈëÃÅÕߣ¬µ±ÄãÏëÀí½âVasp¼ÆËãºÍTagÉèÖÃÇ£ÉæµÄÎïÀíͼÏñµÄʱºò£¬ÇëÄãÔĶÁmanual;

×÷ΪÖм¶Óû§£¬µ±ÄãÏë¼ÆËã¸ü¶àÐÔÖÊ¡¢Ïë´¦Àí³ö¸üƯÁÁµÄÊý¾Ý¶ø½¹Í·ÀöîµÄʱºò£¬ÇëÄã×êÑÐmanual£»

×÷Ϊ¸ß¼¶Óû§£¬µ±ÄãÏ볬Խƽ̨£¬ÁªºÏ¶àÖÖÈí¼þ»ò¹¤¾ßʵÏÖÌØ±ð¼ÆËãµÄʱºò£¬ÇëÄãÆ·Î¶manual£»

×÷Ϊ¡°Ê¥ÈË¡±£¬µ±ÄãÏë¶ÔµÚÒ»ÐÔÔ­Àí×·¸ùËÝÔ´¡¢²ÎìøÎòµÀ¶ø²»¿ÉµÃµÄʱºò£¬ÇëÄãÖØÎÂmanual.

ManualÊÇΪËùÓйØ×¢µÚÒ»ÐÔÔ­ÀíÈ˶øÐ´µÄ£¬Ëü¿ÉÒÔ×÷ΪÈí¼þµÄ²Ù×÷½Ì³Ì£¬Ò²¿ÉÒÔÌṩÀíÂÛ±³¾°ºÍÖ¸Òý£¬Ò²ÊÇдµÃºÜÓÐζµÀµÄÒÕÊõ×÷Æ·¡£

Ï£Íûͨ¹ý±¾´Î»î¶¯£¬ÎÞÂÛÊdzõѧÕß»¹ÊÇÀϵ÷¢Ã¹µÄ³æ×Ó£¬¶¼ÄÜ´ÓmanualÖеõ½ÆôµÏ¡£

»î¶¯·½°¸£º

£¨1£©Ñ§Ï°·¶Î§£º

ÒÔVasp manual 2009 ΪÀ¶±¾
ÏÂÔØµØÖ·£¨ £©£ºhttp://muchong.com/bbs/viewthread.php?tid=1564821&pid=17403126&page=1#pid17403126

´ÓµÚ5ÕÂFiles used by VASP  µ½µÚ15ÕÂ FAQ ¹²11ÕÂ

£¨2£©»î¶¯·½Ê½£º

·¢ÌùÕßÕë¶ÔÊÖ²áÉϲ»Ã÷°×µÄµØ·½ÌáÎÊ£¬·¢ÌáÎÊÌù£¬²ÎÕÕ¸ñʽ£º
[Õ½ÚÒ³Âë]£º
[Ô­ÎÄÄÚÈÝ]£º
[ÎÊÌâ]£º


·¢ÌùÕß¾ÍÊÖ²áÉϵÄijЩÎÊÌâÌá³ö×Ô¼ºµÄ¿´·¨¡¢Ñ§Ï°ÐĵûòÕß¼ÆËãʵÀý×Ó£¬²ÎÕÕ¸ñʽ£º
[Õ½ÚÒ³Âë]£º
[Ô­ÎÄÄÚÈÝ]£º
[ÐĵÃÌå»á]£º

»ØÌûÕßÒýÓÃºó»Ø´ð»òÕß²ÎÓëÌÖÂÛ¡£²ÎÕÕ¸ñʽ½ö½ö×÷Ϊ²Î¿¼£¬ºÃµÄÄÚÈÝ¿ÉÒÔ²»ÊÜÏÞÖÆ£¬Ö»Òª±ãÓÚ³æÓÑʶ±ð½»Á÷¾ÍºÃ¡£

£¨3£©½±Àø°ì·¨£º

½±Àø°ì·¨ÎÒÈ¥¸úÇø³¤ÉÌÁ¿£¬Ä¿Ç°²ÎÕÕµÚÒ»ÐÔÔ­Àí°æ¶Ô·ÖÏíºÍ»Ø¸´Ìù½±Àø°ì·¨Ö´ÐС£

£¨4£©·ÇË®Çø£¬Îð¹àË®:dnd:

Ï£Íû´ó¼ÒÒ»ÆðŬÁ¦£¬Ò»ÆðÌá¸ß£¬ÔçÈÕÍÑÀëÈí¼þÆ÷Îï²ãÃæµÄÊø¸¿£¬ÔÚµÚÒ»ÐÔÔ­ÀíÁìÓòµÇÌÃÈëÊÒ¡£

[ Last edited by cenwanglai on 2010-6-3 at 23:20 ]
»Ø¸´´ËÂ¥

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

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

cenwanglai

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

ÀϺÍɽâ«ËöÅɾŶÎ

ÓÅÐã°æÖ÷

¡ï
lvjian8596(½ð±Ò+1):ÐÁ¿àÀ²£¡ 2010-06-22 19:31:33
ÒýÓûØÌû:
Originally posted by lugang911 at 2010-06-22 10:05:26:
´ó¼ÒºÃ£¡ManualµÄ130Ò³ÓÐÕâôһ¶Î¹ØÓÚÈ·¶¨¾§¸ñ³£Êý»°£º
"After a run the file SUMMARY.fcc contains the energy for different lattice parameters. The total energy can be fitted to some equation of  ...

¹ÌÌå״̬·½³ÌÊÇÌå»ý,Ä£Á¿ºÍÄÜÁ¿µÄ¹ØÏµ.Õâ¸ö״̬·½³ÌMSµÄ°ïÖúÎļþÀïÃæÓÐ.¼¸´Î·½³ÌÒѾ­¾ö¶¨Á˵Ä.²»Í¬µÄ·½³ÌÓв»Í¬µÄ½×Êý.ÂÛ̳ÀïÓÐ״̬·½³ÌµÄÁ´½Ó,ÇëËÑË÷Ò»ÏÂ.

ÁíÍâ:ºÃÏóÄã¶Ô״̬·½³Ì²»Á˽âÄØ.ÒÔΪÊÇËæ±ã¸ãµÄÒ»¸ö·½³Ì?Õâ¸öÊÇרÃÅÊõÓï.
29Â¥2010-06-22 11:29:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 57 ¸ö»Ø´ð

fanchen021

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
cenwanglai:ľ³æÐֵܿªÊ×ÌùÁË,À´¸öÇÐÌâµÄ²»ÊǸüºÃ? 2010-06-03 23:19:05
Õâ¸öÒ»¶¨ÒªÖ§³Ö¡£¡£¡£¡£¡£
2Â¥2010-06-03 23:10:57
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lonewolf659

Í­³æ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
¾ÙË«½ÅÖ§³Ö£¬Õâ¸öÒªÁô×Å
²î¾à£¬²î¾à°¡£¡
6Â¥2010-06-04 08:57:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

fzx2008

ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
Õâ¸öÒª¶¥£¬Ç¿ÁÒÖ§³Ö£¡
Ï£Íû´ËÌù»ðÏÂÈ¥£¡
zxfang
7Â¥2010-06-04 14:27:39
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 0817 »¯Ñ§¹¤³Ì 299·ÖÇóµ÷¼Á ÓпÆÑо­Àú ÓжþÇøÎÄÕ +21 rare12345 2026-03-18 21/1050 2026-03-20 14:31 by ÎÞи¿É»÷111
[¿¼ÑÐ] 295²ÄÁÏÇóµ÷¼Á£¬Ò»Ö¾Ô¸Î人Àí¹¤085601ר˶ +4 Charlieyq 2026-03-19 4/200 2026-03-20 14:26 by ÎÞи¿É»÷111
[¿¼ÑÐ] 298-Ò»Ö¾Ô¸Öйúũҵ´óѧ-Çóµ÷¼Á +9 ÊÖ»úÓû§ 2026-03-17 9/450 2026-03-20 14:24 by ÎÞи¿É»÷111
[¿¼ÑÐ] 281Çóµ÷¼Á£¨0805£© +12 ÑÌÏ«Ò亣 2026-03-16 23/1150 2026-03-20 12:50 by ¹¦·ò·è¿ñ
[¿¼ÑÐ] 265Çóµ÷¼Á +9 ÁºÁºÐ£Ð£ 2026-03-19 9/450 2026-03-20 12:33 by lature00
[¿¼ÑÐ] 296Çóµ÷¼Á +4 www_q 2026-03-18 8/400 2026-03-20 12:12 by ѧԱ8dgXkO
[¿¼ÑÐ] 290Çóµ÷¼Á +4 ^O^Ø¿ 2026-03-19 4/200 2026-03-20 11:51 by ѧԱ8dgXkO
[¿¼ÑÐ] Ò»Ö¾Ô¸Äϲý´óѧ£¬327·Ö£¬²ÄÁÏÓ뻯¹¤085600 +5 Ncdx123456 2026-03-19 5/250 2026-03-20 11:15 by wangy0907
[ÂÛÎÄͶ¸å] ÉêÇë»Ø¸åÑÓÆÚÒ»¸öÔ£¬±à¼­Í¬ÒâÁË¡£µ«ÏµÍ³ÉϵÄʱ¼äû±ä£¬¸ø±à¼­ÓÖдÓʼþÁË£¬Ã»»Ø¸´ 10+3 wangf9518 2026-03-17 4/200 2026-03-19 23:55 by babero
[¿¼ÑÐ] 081700»¯¹¤Ñ§Ë¶µ÷¼Á +3 ¡¾1¡¿ 2026-03-16 3/150 2026-03-19 23:40 by edmund7
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷°²½»Í¨´óѧ²ÄÁϹ¤³Ìרҵ 282·ÖÇóµ÷¼Á +5 ·ãÇÅZL 2026-03-18 7/350 2026-03-19 14:52 by ¹¦·ò·è¿ñ
[¿¼ÑÐ] 0854¿É¿çµ÷¼Á£¬Ò»×÷Ò»ÏîºËÐÄÂÛÎÄÎåÏîרÀû£¬Ê¡¡¢¹ú¼¶Ö¤Êé40+ÊýÒ»Ó¢Ò»287 +8 СÀî0854 2026-03-16 8/400 2026-03-18 14:35 by ²«»÷518
[¿¼ÑÐ] ÊÕ¸´ÊÔµ÷¼ÁÉú +4 ÓêºóÇïºÉ 2026-03-18 4/200 2026-03-18 14:16 by elevennnne
[¿¼ÑÐ] 0854£¬¼ÆËã»úÀàÕÐÊÕµ÷¼Á +3 ºúÀ±ÌÀ·ÅÌÇ 2026-03-15 6/300 2026-03-18 12:09 by Éϰ¶Éϰ¶¡­¡­..
[¿¼ÑÐ] ÉúÎïѧ071000 329·ÖÇóµ÷¼Á +3 ÎÒ°®ÉúÎïÉúÎﰮΠ2026-03-17 3/150 2026-03-18 10:12 by macy2011
[¿¼ÑÐ] ¿¼Ñл¯Ñ§Ñ§Ë¶µ÷¼Á£¬Ò»Ö¾Ô¸985 +4 ÕÅvvvv 2026-03-15 6/300 2026-03-17 17:15 by ruiyingmiao
[¿¼ÑÐ] ÓÐûÓеÀÌú/ÍÁľµÄÏëµ÷¼ÁÄÏÁÖ£¬¸ø×Ô¼ºÕÐʦµÜÖС« +3 TqlXswl 2026-03-16 7/350 2026-03-17 15:23 by TqlXswl
[¿¼ÑÐ] Ò»Ö¾Ô¸ËÕÖÝ´óѧ²ÄÁϹ¤³Ì£¨085601£©×¨Ë¶ÓпÆÑо­ÀúÈýÏî¹ú½±Á½¸öʵÓÃÐÍרÀûÒ»ÏîÊ¡¼¶Á¢Ïî +6 ´ó»ðɽС»ðɽ 2026-03-16 8/400 2026-03-17 15:05 by ÎÞи¿É»÷111
[¿¼ÑÐ] 333Çóµ÷¼Á +3 ÎÄ˼¿Í 2026-03-16 7/350 2026-03-16 18:21 by ÎÄ˼¿Í
[¿¼ÑÐ] 297Ò»Ö¾Ô¸ÉϽ»085600Çóµ÷¼Á +5 Ö¸¼â°ËǧÀï 2026-03-14 5/250 2026-03-14 17:26 by a²»Ò×
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û