±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 710  |  »Ø¸´: 2

xÏÄÈÕµÄÔ¼¶¨

Í­³æ (СÓÐÃûÆø)

[ÇóÖú] Ϊʲô²»ÄܽøÐÐÄÜ´øºÍÌ«ÃܶȼÆËã

ΪʲôÎÒËãÍê´ÅÐԺ󣬰ÑICHARG±äΪ11ºó£¬²»ÄܽøÐмÆË㣬ϵͳÌáʾÊÇcharge density could not be read from file CHGCAR for ICHARG>10£¬ÕâÊÇΪʲô£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

fzx2008

ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
liliangfang: ½ð±Ò+2, ¶àлָ½Ì 2012-03-25 09:29:30
ºÜÓпÉÄÜÊÇFFT¸ñ×Ó·¢ÉúÁ˸ı䡣

¼Ç¼ÏÂSCFµÄNGXF£¬ NGYF £¬ NGZF£¨OUTCARÖÐgrepһϣ©£¬Ìíµ½non-SCFµÄINCARÖÐÊÔÊÔ~~
2Â¥2012-03-24 22:48:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xÏÄÈÕµÄÔ¼¶¨

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by fzx2008 at 2012-03-24 22:48:43:
ºÜÓпÉÄÜÊÇFFT¸ñ×Ó·¢ÉúÁ˸ı䡣

¼Ç¼ÏÂSCFµÄNGXF£¬ NGYF £¬ NGZF£¨OUTCARÖÐgrepһϣ©£¬Ìíµ½non-SCFµÄINCARÖÐÊÔÊÔ~~

OK£¬ÎÒÊÔÒ»ÏÂ
3Â¥2012-03-25 18:38:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ xÏÄÈÕµÄÔ¼¶¨ µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] µ÷¼Á +6 19945159693 2026-04-03 7/350 2026-04-03 22:04 by à£à£à£0119
[¿¼ÑÐ] 11408,335·Ö£¬±¾¿Æ211£¬Çóµ÷¼Á£¬¿Éתרҵ +3 öùÀæ´óöùÓã 2026-04-03 3/150 2026-04-03 21:18 by zhq0425
[¿¼ÑÐ] 332Çóµ÷¼Á +8 @MZB382400 2026-03-28 8/400 2026-04-03 19:31 by lijunpoly
[¿¼ÑÐ] 282Çóµ÷¼Á ²»Ìôרҵ ÇóÊÕÁô +7 Yam. 2026-03-30 8/400 2026-04-03 14:12 by zhangdingwa
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª¶«Àí¹¤´óѧ£¬080500ѧ˶£¬317·Ö£¬Çóµ÷¼Á +13 s1145 2026-03-31 15/750 2026-04-03 11:44 by msi123
[¿¼ÑÐ] ÍÁľˮÀû328·ÖÇóµ÷¼Á +6 ¼²·çÖª¾¢²Ý666 2026-04-02 6/300 2026-04-03 11:38 by znian
[¿¼ÑÐ] 295Çóµ÷¼Á +7 Ô¸ÂÃ;ÓÀԶ̹Ȼ 2026-04-02 7/350 2026-04-03 08:22 by fangshan711
[¿¼ÑÐ] 22408 266Çóµ÷¼Á +3 masss11222 2026-04-02 3/150 2026-04-02 18:11 by ±ÊÂä½õÖÝ
[ÂÛÎÄͶ¸å] chinese chemical lettersÓ¢ÎİæÍ¶¸åÇóÖú 120+4 Yishengeryi 2026-03-30 6/300 2026-04-02 17:19 by Yishengeryi
[¿¼ÑÐ] 285Çóµ÷¼Á +14 AZMK 2026-04-02 14/700 2026-04-02 15:54 by ÉϾÅÌìÀ¿Ô£¨ºÃÔ
[¿¼ÑÐ] ²ÄÁÏרҵÇóµ÷¼Á +10 ÔÂÔÂÄñľ 2026-04-01 10/500 2026-04-02 12:57 by wxiongid
[¿¼ÑÐ] 327Çóµ÷¼Á +9 ¼³Òàê» 2026-03-29 9/450 2026-04-02 11:44 by ÔËÆøyunqi
[¿¼ÑÐ] 085601²ÄÁϹ¤³ÌÕÒµ÷¼Á +20 oatmealR 2026-03-29 21/1050 2026-04-01 21:00 by lijunpoly
[¿¼ÑÐ] 307·ÖÇóµ÷¼Á +14 (o~o) 2026-03-31 15/750 2026-04-01 20:43 by longlotian
[¿¼ÑÐ] Ò»Ö¾Ô¸ ÄϾ©º½¿Õº½Ìì´óѧ £¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶ +7 @taotao 2026-03-30 7/350 2026-04-01 14:30 by chenqifeng666
[¿¼ÑÐ] Ò»Ö¾Ô¸Äϲý´óѧ324Çóµ÷¼Á +7 hanamiko 2026-03-30 7/350 2026-04-01 13:22 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¿Æ¼¼´óѧ085601²ÄÁϹ¤³ÌÓ¢Ò»Êý¶þ³õÊÔ×Ü·Ö335Çóµ÷¼Á +5 Ë«ÂíβƦÀϰå2 2026-03-31 5/250 2026-04-01 09:04 by oooqiao
[¿¼ÑÐ] 080200ѧ˶£¬»úе¹¤³Ìרҵ277·Ö£¬Çó´ø×ߣ¡ +4 Æ¿×ÓPZ 2026-03-31 4/200 2026-03-31 20:16 by vgtyfty
[¿¼ÑÐ] 085701Çóµ÷¼Á³õÊÔ286·Ö +5 secret0328 2026-03-28 5/250 2026-03-30 12:54 by fangnagu
[¿¼ÑÐ] ÊýÒ»Ó¢Ò»271ר˶£¨085401£©Çóµ÷¼Á£¬¿É¿ç +7 ǰÐбØÓйâ 2026-03-28 8/400 2026-03-28 23:22 by Сľ³ætim
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û