Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 6707  |  »Ø¸´: 8

¶³ºÄ×ÓµÄС¼¦

Í­³æ (ÕýʽдÊÖ)

[ÇóÖú] vasp¼ÆËãµÃµ½ÁËLOCPOTÎļþ£¬ÏëÒª´¦ÀíµÃµ½¾²µçÊÆ£¬Õæ¿ÕÄܼ¶¡£ ÒÑÓÐ3È˲ÎÓë

vasp¼ÆËãµÃµ½ÁËLOCPOTÎļþ£¬ÏëÒª´¦ÀíµÃµ½¾²µçÊÆ£¬Õæ¿ÕÄܼ¶¡£ÓÚÊÇÔÚÍøÉÏÕÒµ½Ò»¸övtotav.fС³ÌÐò£¬ÎÒµÄvaspÊÇ5.3°æ±¾£¬Õâ¸öС³ÌÐòÃ²ËÆÊÇ5.2µÄ£¬´¦Àí×ÜÊdzö´í
/home/phy/zhangjc/zhangjc/VASP_BIN/vtotav.f: line 1: PROGRAM: command not found
/home/phy/zhangjc/zhangjc/VASP_BIN/vtotav.f: line 2: syntax error near unexpected token `NGXM=256,NOUTM=1024\'
/home/phy/zhangjc/zhangjc/VASP_BIN/vtotav.f: line 2: `      PARAMETER(NGXM=256,NOUTM=1024)\'
¸÷λ´óÉñÇó°ïÖú£¬×î½ü±»Àϰå´ßµÄÌ«½ôÁË  ÔõÃ´ÆÆ°¡
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

±í½çÃæ¼ÆËã

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

×öºÃ×Ô¼ºµÄÊÂ
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

¶³ºÄ×ÓµÄС¼¦

Í­³æ (ÕýʽдÊÖ)

ÓÐÈËÂ𣿠 ¼±Çó°¡
×öºÃ×Ô¼ºµÄÊÂ
2Â¥2015-04-17 11:16:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hakuna

ľ³æ (ÖªÃû×÷¼Ò)

Äã²»»áÊÇÖ±½ÓÔËÐÐvtotav.f°É
3Â¥2015-04-17 17:38:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

KalaShayminS

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ljw4010: ½ð±Ò+2, лл½»Á÷£¡ 2015-04-17 22:27:02
ÐèÒª±àÒëºóÖ´ÐУ¬gfortran -o vtotav vtotav.f£¬È»ºóÔËÐÐ vtotav
4Â¥2015-04-17 21:07:46
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

magicmonk

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
4Â¥: Originally posted by KalaShayminS at 2015-04-17 21:07:46
ÐèÒª±àÒëºóÖ´ÐУ¬gfortran -o vtotav vtotav.f£¬È»ºóÔËÐÐ vtotav

¼´Ê¹±àÒëºÃÁË£¬²»ÐèÒª½øÐиñʽ¶ÁÈ¡µÄÐÞ¸ÄÂð£¿
ÎÒÃÇ×îÉîµÄ¿Ö¾å²»ÊÇÎÒÃÇÄÜÁ¦²»¹»£¬ÎÒÃÇ×îÉîµÄ¿Ö¾åÊÇÄÜÁ¦³¬Ô½Á˼«ÏÞ¡£
5Â¥2015-04-19 09:19:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

KalaShayminS

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
5Â¥: Originally posted by magicmonk at 2015-04-19 09:19:18
¼´Ê¹±àÒëºÃÁË£¬²»ÐèÒª½øÐиñʽ¶ÁÈ¡µÄÐÞ¸ÄÂð£¿...

Õâ¸öµÃ¿´¸öÈËÐèÒªÐ޸ġ£
6Â¥2015-04-19 10:10:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ǰÌïÇì´Î

ľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

ÎÒËÆºõ¼ÇµÃ¸ß°æ±¾vaspËãµÄÊý¾ÝҪɾ³ýÔªËØÐвÅÐУ¬ÊDz»ÊÇÕâÑùÀ´×Å
³¤Ç¹Ò»ºá»¨Æ®Á㣬ËÉ·ç×·Ô°éÎÒÐС£ÎÞË«È˼äÊÀÈçÃΣ¬ÇãÆæÍòÊÀÓÀÁôÃû¡£
7Â¥2015-04-20 20:34:00
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ǰÌïÇì´Î

ľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

ÎÒ·¢±íµÄÌû×ÓÀïÓд¦ÀíµÄ¹¤¾ß£¬×ÔÈ¡
³¤Ç¹Ò»ºá»¨Æ®Á㣬ËÉ·ç×·Ô°éÎÒÐС£ÎÞË«È˼äÊÀÈçÃΣ¬ÇãÆæÍòÊÀÓÀÁôÃû¡£
8Â¥2017-04-07 11:05:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wuli8

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

¡­¡­¡­¡­

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

P4V¿ÉÒÔÖ±½Ó´¦Àíhttp://p4vasp.at/
LOCPOTÎļþ
ÐèÒªvasprun.xmlÎļþºÍLOCPOTÎļþ
¡­¡­¡­¡­
9Â¥2017-04-07 11:32:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ¶³ºÄ×ÓµÄС¼¦ µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤301·ÖÇóµ÷¼ÁԺУ +25 ´ÌÍ´jk 2026-04-06 26/1300 2026-04-07 15:07 by -ÃÔÁË·°¡Â·
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª¶«Àí¹¤085601²ÄÁϹ¤³Ì303·ÖÇóµ÷¼Á +8 a1708 2026-04-06 8/400 2026-04-07 11:20 by Ê«Óë×ÔÓÉ
[¿¼ÑÐ] Çóµ÷¼Á +11 xzghyuj 2026-04-04 11/550 2026-04-06 11:49 by lijunpoly
[¿¼ÑÐ] 0703Çóµ÷¼Á383·Ö +9 W55j 2026-04-03 9/450 2026-04-06 06:50 by houyaoxu
[¿¼ÑÐ] ¹¤¿ÆÇóµ÷¼Á +15 11ggg 2026-04-03 15/750 2026-04-05 16:24 by zzx2138
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +4 ´Þwj 2026-04-04 5/250 2026-04-05 14:06 by imissbao
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +8 ÏàÐűػá¹ââÍòÕ 2026-04-05 10/500 2026-04-05 12:19 by Hdyxbekcb
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤306·ÖÕÒµ÷¼Á +12 ²×º£ÇáÖÛe 2026-04-03 13/650 2026-04-04 23:45 by lqwchd
[¿¼ÑÐ] 290Çóµ÷¼Á +7 luoziheng 2026-04-04 7/350 2026-04-04 23:17 by lqwchd
[¿¼ÑÐ] 338Çóµ÷¼Á +7 êɹ¦? 2026-04-03 7/350 2026-04-04 20:37 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 324Çóµ÷¼Á +14 ÏëÉÏѧÇóµ÷ 2026-04-02 15/750 2026-04-04 20:31 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 321Çóµ÷¼Á +13 ÈÏÕæÇóÉÏѧ 2026-04-02 13/650 2026-04-04 18:23 by macy2011
[ÂÛÎÄͶ¸å] ÇóÎÄÏ× 5+3 ys879651$ 2026-04-02 3/150 2026-04-04 17:22 by bobvan
[¿¼ÑÐ] Ò»Ö¾Ô¸±±½»´ó²ÄÁϹ¤³Ì×Ü·Ö358 +6 cs0106 2026-04-03 6/300 2026-04-04 11:20 by w_xuqing
[¿¼ÑÐ] 338Çóµ÷¼Á£¬Ò»Ö¾Ô¸ÄÜÔ´¶¯Á¦£¬ÍâÓïÊÇÈÕÓï203 +5 zzz£¬£¬r 2026-04-02 5/250 2026-04-03 09:45 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 Àîľ×Ó0120 2026-04-02 5/250 2026-04-02 21:45 by dongzh2009
[¿¼ÑÐ] 279Çóµ÷¼Á +5 ¸µÎÄÇï 2026-04-02 5/250 2026-04-02 18:10 by ±ÊÂä½õÖÝ
[¿¼ÑÐ] 0856³õÊÔ324·ÖÇóµ÷¼Á +6 ÏëÉÏѧÇóµ÷ 2026-04-01 6/300 2026-04-02 11:42 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] »¯Ñ§¹¤³Ìר˶324·Ö£¬Ò»Ö¾Ô¸Öйú¿óÒµ´óѧÇóµ÷¼Á +7 ¹¢¹¢1314 2026-04-01 7/350 2026-04-02 07:40 by ÉÐË®¸óÖ÷
[¿¼ÑÐ] 265Çóµ÷¼Á +11 yelck 2026-04-01 12/600 2026-04-01 19:12 by 549790059
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û