Znn3bq.jpeg
²é¿´: 732  |  »Ø¸´: 7
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
¡¾Óн±½»Á÷¡¿»ý¼«»Ø¸´±¾Ìû×Ó£¬²ÎÓë½»Á÷£¬¾ÍÓлú»á·ÖµÃ×÷Õß dazao µÄ 5 ¸ö½ð±Ò
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

dazao

½ð³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿lev00_2.45cÎÞ·¨´ò¿ªCHGCAR ÒÑÓÐ3È˲ÎÓë

Ö´Ðе½µÚÎå²½ Ñ¡Ôñ¶ÁÈëµÄÎļþʱ Ϊʲô´ò²»¿ªÄØ£¿ ¸ÃÈçºÎ½â¾ö£¿

5
....... Choose the file to be read in: ......

   1. total electron density CHGCAR
   2. partial electron density PARCHG
   3. electrostatic potential LOCPOT
   4. quit: do not read any file

------------>
1
Reading in the density from CHGCAR ...
  5.592  0.  0.
  0.  5.847  0.
  0.  0.  21.794
1 2 20
   ect
FATAL! File CHGCAR does not exist, bad or wrong!
FATAL! Error while opening   CHGCAR file!
STOP DENSITY: File-opening error! statement executed
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

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

wangzg9292

ľ³æ (ÕýʽдÊÖ)

¡ï
zxzj05(½ð±Ò+1):лл»ØÌû½»Á÷ 2010-03-09 20:59
CHGCARÎļþû¸Ä¸ñʽ°É£¿Ö±½ÓÓþͿÉÒԵģ¡°ÑÐèÒªµÄÎļþ¶¼·ÅÔÚÀïÃæÁ˰ɣ¿
4Â¥2010-03-09 18:48:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 8 ¸ö»Ø´ð

shalier

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by dazao at 2010-03-01 10:04:03:
Ö´Ðе½µÚÎå²½ Ñ¡Ôñ¶ÁÈëµÄÎļþʱ Ϊʲô´ò²»¿ªÄØ£¿ ¸ÃÈçºÎ½â¾ö£¿

5
....... Choose the file to be read in: ......

   1. total electron density CHGCAR
   2. partial electro ...

ÏëÎÊÒ»ÏÂÈçºÎ±àÒëlev00ÄØ
ÇëÖ¸½Ì
3Â¥2010-03-09 17:22:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dazao

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by wangzg9292 at 2010-03-09 18:48:01:
CHGCARÎļþû¸Ä¸ñʽ°É£¿Ö±½ÓÓþͿÉÒԵģ¡°ÑÐèÒªµÄÎļþ¶¼·ÅÔÚÀïÃæÁ˰ɣ¿

Êǰ¡
ÍêÈ«°´Õս̳ÌÀ´µÄ
5Â¥2010-03-09 21:05:24
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liyong.gan

ľ³æ (ÕýʽдÊÖ)

ÔõôÉèÖÃlev00ÀïÃæÃܶÈÖµµÄ·¶Î§ÄØ£¿
6Â¥2010-04-08 17:21:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á£¬Ò»Ö¾Ô¸Ö£ÖÝ´óѧ²ÄÁÏÓ뻯¹¤289·Ö +15 ˶ÐǸ° 2026-04-08 15/750 2026-04-09 03:53 by ËïСС12457
[¿¼ÑÐ] 086000µ÷¼Á +3 Ê®Æßsa 2026-04-07 3/150 2026-04-08 23:58 by GouQ
[¿¼ÑÐ] ר˶0854³õÊÔ¿¼²Ä¿Æ»ù£¬Çóµ÷¼Á +7 3220548044 2026-04-06 10/500 2026-04-08 21:59 by hypershenger
[¿¼ÑÐ] 298Çóµ÷¼Á +6 ¶¤¶£ß˶¬¹Ï 2026-04-07 8/400 2026-04-08 10:51 by ÖзÉÔº¿Õ¹ÜѧԺÑ
[¿¼ÑÐ] 265Çóµ÷¼Á +19 Сľ³æ085600 2026-04-06 21/1050 2026-04-08 10:38 by ÄæË®³Ë·ç
[¿¼ÑÐ] 315Çóµ÷¼Á +3 TUZEIQAQ 2026-04-02 3/150 2026-04-07 17:32 by chenp123
[¿¼ÑÐ] ²ÄÁÏÇóµ÷¼Á +18 Ò»ÑùYWY 2026-04-05 18/900 2026-04-07 15:49 by dxlg
[¿¼ÑÐ] 081700ѧ˶£¬323·Ö£¬Ò»Ö¾Ô¸Öйúº£Ñó´óѧÇóµ÷¼ÁѧУ +19 ÅûÐÇºÓ 2026-04-04 19/950 2026-04-07 15:00 by Éϰ¶¿ì¿ì
[ÂÛÎÄͶ¸å] Decision: Revise for Editor»¹»áËÍÉóÂð 100+3 CccccccccFD 2026-04-04 5/250 2026-04-07 10:58 by ±±¾©À³ÒðÈóÉ«
[¿¼ÑÐ] 333Çóµ÷¼Á +6 ºÏ³ËÑîϰϦ 2026-04-06 6/300 2026-04-07 09:44 by Öí»á·É
[¿¼ÑÐ] 081200-11408-367ѧ˶Çóµ÷¼Á +4 1_2_3111 2026-04-06 4/200 2026-04-07 08:13 by jp9609
[¿¼ÑÐ] 285Çóµ÷¼Á +8 AZMK 2026-04-04 11/550 2026-04-06 13:56 by BruceLiu320
[¿¼ÑÐ] Çóµ÷¼Á +10 chenxrlkx 2026-04-05 10/500 2026-04-06 11:31 by Öí»á·É
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +13 Ò»ÑùYWY 2026-04-03 14/700 2026-04-05 18:20 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 085600µ÷¼Á +4 1amJJ 2026-04-02 4/200 2026-04-04 21:53 by hemengdong
[¿¼ÑÐ] 387Çóµ÷¼Á +4 °®³ÔƬ¶¹ÍÁ 2026-04-03 5/250 2026-04-04 08:10 by °¶ÉϵÄÒ»ÌõÓã
[¿¼ÑÐ] һ־Ը˫·Ç085502£¬267·Ö£¬¹ýËļ¶Çóµ÷¼Á +3 ÔÙæҲҪ³Ô·¹°¡ 2026-04-03 3/150 2026-04-04 05:03 by gswylq
[¿¼ÑÐ] 315·Ö 085602 Çóµ÷¼Á +15 26¿¼ÑÐÉϰ¶°æ26 2026-04-02 15/750 2026-04-03 12:45 by xingguangj
[¿¼ÑÐ] 085600£¬320·ÖÇóµ÷¼Á +6 ´ó²öС×Ó 2026-04-02 6/300 2026-04-02 21:54 by dongzh2009
[¿¼ÑÐ] Çóµ÷¼Á 302·Ö³õÊÔ 0854 +5 Áæ¿ÉÀÖ 2026-04-02 5/250 2026-04-02 17:53 by ±ÊÂä½õÖÝ
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û