±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1043  |  »Ø¸´: 2

michaelpxz

½ð³æ (СÓÐÃûÆø)

[ÇóÖú] ºîÀÏʦ˵Ã÷ÊéÖУ¬²ÉÓÃmurnaghanÄâºÏ¾§¸ñ³£Êý ÒÑÓÐ1È˲ÎÓë

ÇëÎÊһϣ¬
ÔÚÄâºÏMgµÄ¾§¸ñ³£Êýʱ£¬
2
1.40561
2.80  3.73  50
2.81  -2.868448
¡­¡­
......
¿ªÍ·µÄ ¡°2¡±  ºÍµÚ¶þÐеġ°1.4056¡±´ú±íʲôÒâ˼£¿

[ ·¢×ÔÊÖ»ú°æ http://muchong.com/3g ]
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

ÀîÌì°ï

ľ³æ (ÕýʽдÊÖ)

ССľ³æ

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
1st line:  unit of energy for input values (1=Rydberg, 2=EV, 3 = Hartree)
2ed line:  i.e. volume of unit cell/cell used (volume of cell: alat**3)
¼´µÚÒ»¸öÊý´ú±íÄÜÁ¿ÊäÈëÖµµÃÀàÐÍ£¬µÚ¶þ¸öÊǵ¥°û»òÔ­°ûµÄÌå»ý¡£Â¥Ö÷¿ÉÒÔ¿´¿´ÆäÄâºÏµÄ³ÌÐòÓ¦¸ÃÓÐ×¢Ê͵ġ£
ÊÂËäÄÑ£¬×öÔò³É£»Â·ËäÔ¶£¬ÐÐÔòÖÁ¡£
2Â¥2014-06-04 08:19:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

michaelpxz

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by ÀîÌì°ï at 2014-06-04 08:19:25
1st line:  unit of energy for input values (1=Rydberg, 2=EV, 3 = Hartree)
2ed line:  i.e. volume of unit cell/cell used (volume of cell: alat**3)
¼´µÚÒ»¸öÊý´ú±íÄÜÁ¿ÊäÈëÖµµÃÀàÐÍ£¬µÚ¶þ¸öÊǵ¥°û»òÔ­°ûµÄ ...

Ã÷°×ÁË£¬Ð»Ð»

[ ·¢×ÔСľ³æ¿Í»§¶Ë ]
3Â¥2014-06-04 19:19:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ michaelpxz µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Çóµ÷¼Á +8 ÕÅzz111 2026-03-27 9/450 2026-03-28 03:41 by fmesaito
[¿¼ÑÐ] 352·Ö »¯¹¤Óë²ÄÁÏ +5 º£Äɰٴ¨Ly 2026-03-27 5/250 2026-03-28 03:39 by fmesaito
[¿¼ÑÐ] 0856²ÄÁÏ»¯¹¤µ÷¼Á ×Ü·Ö330 +10 zhubinhao 2026-03-27 10/500 2026-03-28 03:34 by fmesaito
[¿¼ÑÐ] 083000ѧ˶274Çóµ÷¼Á +5 LiÀîÓã 2026-03-26 5/250 2026-03-27 23:17 by mmm just
[¿¼ÑÐ] 0703»¯Ñ§ +6 ÄÝÄÝninicgb 2026-03-27 6/300 2026-03-27 17:18 by shangxh
[¿¼ÑÐ] 283Çóµ÷¼Á£¨080500£© +4 A child 2026-03-27 4/200 2026-03-27 15:34 by XPUÀîÇì
[¿¼ÑÐ] 308Çóµ÷¼Á +7 īīĮ 2026-03-25 7/350 2026-03-27 14:47 by ¿ñìÅÂóµ±µ±
[¿¼ÑÐ] 298µ÷¼Á +3 jiyingjie123 2026-03-27 3/150 2026-03-27 11:57 by wxiongid
[¿¼ÑÐ] 334Çóµ÷¼Á +3 ÓêÇåÌìÇç 2026-03-21 3/150 2026-03-27 11:30 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 333Çóµ÷¼Á +3 questionÍì·ç 2026-03-23 3/150 2026-03-27 11:29 by ²»³Ôô~µÄ؈
[˶²©¼ÒÔ°] ÕÐÊÕÉúÎïѧ/ϸ°ûÉúÎïѧµ÷¼Á +3 IceGuo 2026-03-26 4/200 2026-03-27 05:35 by user003
[¿¼ÑÐ] µ÷¼ÁÇóÊÕÁô +7 ¹ûÈ»ÓÐÎÒ 2026-03-26 7/350 2026-03-27 00:26 by wxiongid
[¿¼ÑÐ] 329Çóµ÷¼Á +5 1() 2026-03-22 5/250 2026-03-26 20:40 by fmesaito
[¿¼ÑÐ] Ò»Ö¾Ô¸211 ³õÊÔ270·Ö Çóµ÷¼Á +6 ¹ÈÓêÉϰ¶ 2026-03-23 7/350 2026-03-26 18:55 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 263Çóµ÷¼Á +6 yqdszhdap£­ 2026-03-22 10/500 2026-03-26 13:11 by ¹«èªåÐÒ£
[¿¼ÑÐ] 291 Çóµ÷¼Á +7 »¯¹¤2026½ì±ÏÒµÉ 2026-03-21 8/400 2026-03-26 11:25 by AlenQIN.
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖÐÄÏ´óѧ»¯Ñ§Ñ§Ë¶0703×Ü·Ö337Çóµ÷¼Á +7 niko- 2026-03-22 7/350 2026-03-25 20:14 by qingfeng258
[¿¼ÑÐ] ²ÄÁÏר˶331Çóµ÷¼Á +4 Ïʵ±Å£ 2026-03-24 4/200 2026-03-24 15:58 by JourneyLucky
[¿¼ÑÐ] 344Çóµ÷¼Á +3 desto 2026-03-24 3/150 2026-03-24 10:09 by ²«»÷518
[¿¼ÑÐ] ¹¤¿Æ0856Çóµ÷¼Á +5 ãåÎö͡͡ 2026-03-21 5/250 2026-03-23 17:56 by º£ÉªÞ±-
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û