²é¿´: 1046  |  »Ø¸´: 11

jpchou

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

???????:
10?: Originally posted by jx??¡¤?? at 2016-04-13 20:37:45
???????????§Ý??????????¦Ë?PARCHG,?§Ö?§³???§Ý§Ý????????????????????????????? ?????????????????????????????OUTCAR????????????
    220      -0.8522      1.00000
    ...

?????? -0.64 ???? -0.7 ~ -0.6 ??g?]?e
??~ ????X?? VASP ???@????????e
????????z???????? input and output files

1. ?_????o?? WAVECAR ?????_?? (???§ßo WAVECAR ? VASP ?x~ ?????)
2. ?????? -0.7 ~ -0.6 ?@???A????~ ??????? -0.8 ~ 1.3 ?????
    VASP ?????????§»?Y???????????????
11Â¥2016-04-13 20:59:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jxÔÚ·ÉÏ

½ð³æ (ÖøÃûдÊÖ)

???????:
11?: Originally posted by jpchou at 2016-04-13 20:59:36
?????? -0.64 ???? -0.7 ~ -0.6 ??g?]?e
??~ ????X?? VASP ???@????????e
????????z???????? input and output files

1. ?_????o?? WAVECAR ?????_?? (???§ßo WAVECAR ? VASP ?x~ ?????)
2. ???? ...

§Ý§Ý????? ????¦¶????????? ????PARCHG??? ???????????HOMO???????PARCHG ??????????¦¶?????? ????????HOMO??PARCHG?? §Ý§Ý???????
12Â¥2016-04-13 21:39:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ jxÔÚ·ÉÏ µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ÉúÎïѧѧ˶Çóµ÷¼Á +6 СÑò˯×ÅÁË? 2026-03-23 6/300 2026-03-24 13:22 by Àî³£°²
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤328·Öµ÷¼Á +4 ¡££¬¡££¬¡££¬¡£i 2026-03-23 4/200 2026-03-24 11:03 by 544594351
[¿¼ÑÐ] һ־Ըɽ¶«´óѧҩѧѧ˶Çóµ÷¼Á +3 ¿ª¿ªÐÄÐÄû·³ÄÕ 2026-03-23 4/200 2026-03-24 00:06 by ¿ª¿ªÐÄÐÄû·³ÄÕ
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤µ÷¼Á +7 A-¶ßÀ²ZÃÎ 2026-03-23 12/600 2026-03-23 23:16 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 284Çóµ÷¼Á +3 yanzhixue111 2026-03-23 6/300 2026-03-23 22:58 by pswait
[¿¼ÑÐ] Ò»Ö¾Ô¸211 ³õÊÔ270·Ö Çóµ÷¼Á +4 ¹ÈÓêÉϰ¶ 2026-03-23 5/250 2026-03-23 21:18 by ²»»ó¿ÉÀÖ
[¿¼ÑÐ] 070300»¯Ñ§Çóµ÷¼Á +8 Ô·¶¹¶¹ 2026-03-20 8/400 2026-03-23 20:57 by baobaoye
[¿¼ÑÐ] »¯Ñ§308·ÖÇóµ÷¼Á +3 ÄãºÃÃ÷ÌìÄãºÃ 2026-03-23 3/150 2026-03-23 20:11 by macy2011
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉÂʦ´óÉúÎïѧ071000£¬298·Ö£¬Çóµ÷¼Á +3 SYA£¡ 2026-03-23 3/150 2026-03-23 19:09 by macy2011
[¿¼ÑÐ] 291 Çóµ÷¼Á +4 »¯¹¤2026½ì±ÏÒµÉ 2026-03-21 5/250 2026-03-23 16:46 by »¯¹¤2026½ì±ÏÒµÉ
[¿¼ÑÐ] ʯºÓ×Ó´óѧ£¨211¡¢Ë«Ò»Á÷£©Ë¶²©Ñо¿Éú³¤ÆÚÕÐÉú¹«¸æ +3 Àî×ÓÄ¿ 2026-03-22 3/150 2026-03-22 21:01 by ÔõôÊÍ»³
[¿¼ÑÐ] 307Çóµ÷¼Á +11 ÀäóÏ123 2026-03-17 11/550 2026-03-22 20:16 by edmund7
[¿¼ÑÐ] ÉúÎïѧµ÷¼Á +5 Surekei 2026-03-21 5/250 2026-03-22 14:39 by tcx007
[¿¼ÑÐ] 269ר˶Çóµ÷¼Á +6 ½ð¶÷±´ 2026-03-21 6/300 2026-03-22 14:31 by ColorlessPI
[¿¼ÑÐ] 266Çóµ÷¼Á +3 ÍÛºôºßºôºß 2026-03-20 3/150 2026-03-21 16:46 by barlinike
[¿¼ÑÐ] ²ÄÁÏѧѧ˶080502 337Çóµ÷¼Á-Ò»Ö¾Ô¸»ªÖпƼ¼´óѧ +4 ˳˳˳mr 2026-03-18 5/250 2026-03-21 10:22 by luoyongfeng
[¿¼ÑÐ] Ò»Ö¾Ô¸Öк£Ñó²ÄÁϹ¤³Ìר˶330·ÖÇóµ÷¼Á +8 С²Ä»¯±¾¿Æ 2026-03-18 8/400 2026-03-20 23:16 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸ËÕÖÝ´óѧ²ÄÁÏÇóµ÷¼Á£¬×Ü·Ö315£¨Ó¢Ò»£© +5 sbdksD 2026-03-19 5/250 2026-03-20 22:10 by luoyongfeng
[¿¼ÑÐ] AÇøÏß²ÄÁÏѧµ÷¼Á +5 ÖÜÖÜÎÞ¼« 2026-03-20 5/250 2026-03-20 21:33 by laoshidan
[¿¼ÑÐ] 288Çóµ÷¼Á£¬Ò»Ö¾Ô¸»ªÄÏÀí¹¤´óѧ071005 +5 ioodiiij 2026-03-17 5/250 2026-03-19 18:22 by zcl123
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û