Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 15437  |  »Ø¸´: 52

liliangfang

ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
4Â¥: Originally posted by condensed at 2012-05-24 01:23:37
Diamond:

INCAR:

SYSTEM = diamond
PREC = Accurate
ENCUT = 600.0
EDIFF = 1e-6
ISMEAR = 0
SIGMA = 0.05
POTIM = 0.100
LCHARG = FALSE
LWAVE = FALSE
IBRION=6
ISIF=3
NFREE=4
EDIFFG = 1e-5
...

ÇëÎÊÕâ½á¹ûÔõÑù´¦Àí¶÷£¬Ð»Ð»
11Â¥2012-08-27 21:01:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

condensed

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
11Â¥: Originally posted by liliangfang at 2012-08-27 21:01:09
ÇëÎÊÕâ½á¹ûÔõÑù´¦Àí¶÷£¬Ð»Ð»...

OUTCAR ÀïÃæÖ±½ÓÓнá¹û
12Â¥2012-08-28 00:22:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liliangfang

ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
12Â¥: Originally posted by condensed at 2012-08-28 00:22:31
OUTCAR ÀïÃæÖ±½ÓÓнá¹û...

¿´µ½ÁË£¬ÎÒÊÇÎÊÔõô´¦Àí£¬Õâ¸öÖµºÃÏñºÜ´ó
13Â¥2012-08-28 07:31:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

condensed

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
13Â¥: Originally posted by liliangfang at 2012-08-28 07:31:53
¿´µ½ÁË£¬ÎÒÊÇÎÊÔõô´¦Àí£¬Õâ¸öÖµºÃÏñºÜ´ó...

ÎÒµ±Ê±ÓÃÁ˺ÜСºÜСµÄKpoints, ËùÒÔËã³öµÄ½á¹ûÓÐЩÀëÆ×£¬ÎÒµ±Ê±Ö»ÊÇÏë
¿´¿´Äܲ»ÄÜËã³öÏàÓ¦µÄ½á¹û£¬KµãûÓвâÊÔ
14Â¥2012-08-29 02:46:33
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

future_wl

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
6Â¥: Originally posted by ufo991 at 2012-05-29 10:52:13
NFREE=2ÊDz»ÊÇÒ²¿ÉÒÔ£¿»¹ÓÐÔÚ¼ÆËãʱºòËü»á×Ô¶¯ÕÒ¶Ô³ÆÐÔ£¬ÔÚ¼ÆËãʱºò³öÏÖKµã²»Æ¥ÅäVERY BAD NEWS! internal error in subroutine IBZKPT:Reciprocal lattice and k-lattice belong to different class of lattices. ...

ÄãºÃ£¬NFREE=2 »ò 4 ÓÐÊ²Ã´Çø±ðÂð£¿Ð»Ð»
δÀ´¾ÍÊÇÏÖÔÚ
15Â¥2012-08-29 09:36:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

future_wl

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by fanarsenal at 2012-05-22 17:38:26
ÆäËûµÄÉèÖû᲻»á¸úÕâ¸öÓгåÍ»µÄ˵£¬ÎÒÔö¼ÓÁËÕâÈýÏΪ±£ÏÕÆð¼û»¹Ôö¼ÓÁËNSW=1£¬½á¹ûÈ´ÊÇû·¨´ÓINCARÖжÁÈ¡ISTART£¬#µôISTARTÖ®ºó£¬ÓÖ»á¶Á²»³öÏÂÃæµÄ£¬²»ÖªÎªÊ²Ã´¡­¡­...

ÄãºÃ£¬ÉèÖÃNSW=1ÓÐʲô×÷ÓÃÂð£¿ÊDz»ÊDZ£Ö¤Àë×ÓÖÁÉÙÔ˶¯Ò»´Î£¿
δÀ´¾ÍÊÇÏÖÔÚ
16Â¥2012-08-29 09:51:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

mitong

Òø³æ (³õÈëÎÄ̳)

ËÍÏÊ»¨Ò»¶ä
ÇëÎÊVASPÓ¦Á¦Ó¦±ä·¨µÃµ½µÄµ¯ÐÔ³£Êý¾ØÕóÖÐµÄ XX          YY          ZZ          XY          YZ          ZX  ÊÇ·ñ¶ÔÓ¦×ÅÄÜÁ¿·¨¼ÆËã³öµÄ1 2 3 4 5 6 Ò²¾ÍÊÇ˵ӦÁ¦Ó¦±ä·¨µÃµ½µÄ¾ØÕó¶Ô½ÇÏßÉϵÄÊýÊÇ·ñºÍÄÜÁ¿·¨µÄÏà¶ÔÓ¦£¬Ò²ÊÇC11µ½C66
17Â¥2012-09-30 20:59:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

fanarsenal

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
17Â¥: Originally posted by mitong at 2012-09-30 20:59:59
ÇëÎÊVASPÓ¦Á¦Ó¦±ä·¨µÃµ½µÄµ¯ÐÔ³£Êý¾ØÕóÖÐµÄ XX          YY          ZZ          XY          YZ          ZX  ÊÇ·ñ¶ÔÓ¦×ÅÄÜÁ¿·¨¼ÆËã³öµÄ1 2 3 4 5 6 Ò²¾ÍÊÇ˵ӦÁ¦Ó¦±ä·¨µÃµ½µÄ¾ØÕó¶Ô½ÇÏßÉϵÄÊýÊÇ·ñºÍÄÜÁ¿·¨µÄÏà¶Ô ...

µÃµ½µÄ½á¹û¾ÍÊÇÒ»¸ö6*6µÄ¾ø¾ØÕ󣬺ÍÃèÊöµ¯ÐÔ³£ÊýµÄÊÇÒ»Öµģ¬ÕâÖּǷ¨¿ÉÒԲο¼Á¦Ñ§Ò±½ð¡­

[ ·¢×ÔÊÖ»ú°æ http://muchong.com/3g ]
18Â¥2012-10-01 01:02:37
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

fjfuzhou

½ð³æ (СÓÐÃûÆø)

£É£Î£Ã£Á£ÒÖÐÌí¼ÓIBRION=6£»ISIF=3£»NFREE=4£¬KPOINTS£¬¸ÃÈçºÎ´¦Àí£¿
19Â¥2012-10-13 18:44:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yjwyjwyjw

Òø³æ (СÓÐÃûÆø)

¼ÆË㵯ÐÔ³£ÊýÓÃÔ­°û»¹Êdz¬°û?ÄÜÖ±½Ó¼ÆËãÂð?
20Â¥2012-11-14 15:14:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ fanarsenal µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 275 Çóµ÷¼Á +8 Lei812514 2026-04-07 8/400 2026-04-08 12:46 by chemisry
[¿¼ÑÐ] 301Çóµ÷¼Á +10 ϸ°ûÏà¹Øµ°°× 2026-04-03 10/500 2026-04-08 10:36 by tjzhao
[¿¼ÑÐ] ²ÄÁÏ¿ÆÑ§Ó빤³Ì320Çóµ÷¼Á£¬080500 +10 »Æ¹ÏζÊíÆ¬ 2026-04-06 10/500 2026-04-08 09:08 by oooqiao
[¿¼ÑÐ] 288»·¾³×¨Ë¶,Çóµ÷²ÄÁÏ·½Ïò +35 lllllos 2026-04-04 39/1950 2026-04-07 23:24 by Ò»Ö»ºÃ¹û×Ó?
[¿¼ÑÐ] 0854Çóµ÷¼Á +9 ºàÊÏ·¬ÇÑɳ˾ 2026-04-06 10/500 2026-04-07 14:37 by shdgaomin
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤363ÇóÍÆ¼ö +11 zh096 2026-04-04 11/550 2026-04-06 19:14 by guanxin1001
[¿¼ÑÐ] 301Çóµ÷¼Á +6 ϸ°ûÏà¹Øµ°°× 2026-04-02 10/500 2026-04-06 08:34 by jp9609
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©½»Í¨´óѧ²ÄÁϹ¤³Ì×Ü·Ö358Çóµ÷¼Á +4 cs0106 2026-04-04 4/200 2026-04-05 18:46 by imissbao
[¿¼ÑÐ] 085602µ÷¼Á ³õÊÔ×Ü·Ö335 +12 19123253302 2026-04-04 12/600 2026-04-05 08:08 by 544594351
[¿¼ÑÐ] 338Çóµ÷¼Á +7 êɹ¦? 2026-04-03 7/350 2026-04-04 20:37 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Çóµ÷¼Á +3 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-04 3/150 2026-04-04 12:19 by Éá¶øºóµÃ
[¿¼ÑÐ] 268Çóµ÷¼Á +8 ÄãºÃtg 2026-04-03 9/450 2026-04-04 05:08 by gswylq
[¿¼ÑÐ] ѧ˶288µ÷¼Á!!! +3 СÍõxw123 2026-04-03 3/150 2026-04-03 21:20 by à£à£à£0119
[¿¼ÑÐ] 11408£¬284·Ö£¬¶þÕ½Õæ³ÏÇóµ÷¼Á +4 12.27 2026-04-02 4/200 2026-04-03 14:14 by dxiaoxin
[¿¼ÑÐ] µ÷¼Á +7 ìíáº. 2026-04-02 7/350 2026-04-03 09:11 by »¨ß»¹Ç·600
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉÂÎ÷ʦ·¶´óѧÉúÎïѧ317·Ö +5 1563ÈÕ¡£ 2026-04-02 5/250 2026-04-03 06:58 by ilovexiaobin
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÄÏʦ·¶´óѧ-22408¼ÆËã»ú-292·Ö-Çó»ªÄÏʦ·¶´óѧµ÷¼Á +4 °®¶ÁÊéµÄСöùÓã 2026-04-02 4/200 2026-04-02 18:35 by Çóµ÷¼Ázz
[¿¼ÑÐ] 266Çóµ÷¼Á +4 ѧԱ97LZgn 2026-04-02 4/200 2026-04-02 09:52 by yulian1987
[¿¼ÑÐ] 377Çóµ÷¼Á +3 RASKIN 2026-04-02 3/150 2026-04-02 09:45 by zzchen2000
[¿¼ÑÐ] ²ÄÁÏÇóµ÷¼Á +10 ÄØÄØÄÝÄÝ 2026-04-01 13/650 2026-04-02 09:17 by olim
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û