²é¿´: 1924  |  »Ø¸´: 8

dongdong33

гæ (СÓÐÃûÆø)

[½»Á÷] VASPºÍbigDFTÁ½Õ߸÷ÓÐʲôÓÅÊÆ£¿ ÒÑÓÐ3È˲ÎÓë

Çë½Ì´ó¼ÒÒ»¸öÎÊÌâ
VASPºÍbigDFTÁ½Õß¶¼ÊÇ»ùÓÚµÚÒ»ÐÔÔ­Àí¡£
bigDFT£º´ó¹æÄ£²¢ÐÐÔËËã
VASP£ºØÍÊÆ·á¸»
ËüÃÇÁ½Õ߸÷ÓÐʲôÓÅÊÆ£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

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

kervinzhao

Ìú¸Ëľ³æ (Ö°Òµ×÷¼Ò)

ÌýÓêÂ¥Ö÷

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
bigDFT±íʾ²»Ì«Á˽⣬VASPµÄÓÅÊÆÔÚÓÚÆäËùνµÄPAWØÍÊÆ£¬ÓÈÆäÊʺϽâ¾ö¹ý¶É½ðÊôÕâЩ¾ßÓи´ÔÓµç×ӽṹµÄÔªËØ£¬Õ⵱ȻÊÇ¿ª·¢Õß×Ô´µµÄ£¬Êµ¼ÊЧ¹ûÈçºÎ£¬»¹Òª¾ßÌå±È½ÏʵÓúó
ÉÙÄêÌýÓê¸èÂ¥ÉÏ£¬ºìÖò»èÂÞÕÊ
2Â¥2013-12-15 09:09:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gavinliu7390

ľ³æ (ÖøÃûдÊÖ)

Ò¶ÂäÓ¥·É

¡ï ¡ï ¡ï
franch: ½ð±Ò+3, лл»ØÌû½»Á÷ 2013-12-16 21:53:23
vasp×¼£¬bigDFT¿ì¡£
ÕæÀíÊÇÒ»µãµã½Ó½üµÄ£¡
3Â¥2013-12-16 14:34:24
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dongdong33

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
3Â¥: Originally posted by gavinliu7390 at 2013-12-16 14:34:24
vasp×¼£¬bigDFT¿ì¡£

ºÃ¾«±ÙµÄ×ܽᰡ
4Â¥2013-12-17 11:21:14
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dongdong33

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by kervinzhao at 2013-12-15 09:09:31
bigDFT±íʾ²»Ì«Á˽⣬VASPµÄÓÅÊÆÔÚÓÚÆäËùνµÄPAWØÍÊÆ£¬ÓÈÆäÊʺϽâ¾ö¹ý¶É½ðÊôÕâЩ¾ßÓи´ÔÓµç×ӽṹµÄÔªËØ£¬Õ⵱ȻÊÇ¿ª·¢Õß×Ô´µµÄ£¬Êµ¼ÊЧ¹ûÈçºÎ£¬»¹Òª¾ßÌå±È½ÏʵÓúó

àÅ£¬VASPµÄØÍÊÆ±È½ÏÈ«£¬¶øÇÒ»¹°üº¬PAWØÍÊÆ¡£
¿´±ðÈ˼ò½é£¬¶¼ÊÇ˵bigDFTµÄØÍÊÆ¿â²»È«Ã棬ûVASP¾«È·¡£
VASPÊDz»ÊDZÈbigDFTʹÓõĸü¶àÒ»Ð©ÄØ£¿
5Â¥2013-12-17 11:23:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dongdong33

гæ (СÓÐÃûÆø)

ÔÚ¿¼ÂÇbigDFT·¢Õ¹Ç°¾°ºÃ²»ºÃ£¬Òª²»ÒªÑ§bigDFT
6Â¥2013-12-17 11:26:02
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

kervinzhao

Ìú¸Ëľ³æ (Ö°Òµ×÷¼Ò)

ÌýÓêÂ¥Ö÷

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
5Â¥: Originally posted by dongdong33 at 2013-12-17 11:23:38
àÅ£¬VASPµÄØÍÊÆ±È½ÏÈ«£¬¶øÇÒ»¹°üº¬PAWØÍÊÆ¡£
¿´±ðÈ˼ò½é£¬¶¼ÊÇ˵bigDFTµÄØÍÊÆ¿â²»È«Ã棬ûVASP¾«È·¡£
VASPÊDz»ÊDZÈbigDFTʹÓõĸü¶àÒ»Ð©ÄØ£¿...

ÔÚÎÒĿǰ¿´¹ýµÄÓÐÏÞµÄÎÄÏ×À´ó¸ÅÒ»Á½°Ùƪ£©£¬»¹Ã»¼ûµ½¹ýbigDFT£¬VASPÊÇºÜÆÕ±éµÄ
ÉÙÄêÌýÓê¸èÂ¥ÉÏ£¬ºìÖò»èÂÞÕÊ
7Â¥2013-12-17 22:42:02
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dongdong33

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
7Â¥: Originally posted by kervinzhao at 2013-12-17 22:42:02
ÔÚÎÒĿǰ¿´¹ýµÄÓÐÏÞµÄÎÄÏ×À´ó¸ÅÒ»Á½°Ùƪ£©£¬»¹Ã»¼ûµ½¹ýbigDFT£¬VASPÊÇºÜÆÕ±éµÄ...

лл£º£©
8Â¥2014-02-16 14:53:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lz830617

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
7Â¥: Originally posted by kervinzhao at 2013-12-17 22:42:02
ÔÚÎÒĿǰ¿´¹ýµÄÓÐÏÞµÄÎÄÏ×À´ó¸ÅÒ»Á½°Ùƪ£©£¬»¹Ã»¼ûµ½¹ýbigDFT£¬VASPÊÇºÜÆÕ±éµÄ...

˵Ã÷Äã¿´ÉÙÁË¡£´óÃæ»ýµÄ½áºÏʹÓã¬Ð§¹ûºÜºÃ
9Â¥2014-11-18 00:36:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ dongdong33 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁÏר˶306Ó¢Ò»Êý¶þ +4 z1z2z3879 2026-03-16 6/300 2026-03-16 19:38 by z1z2z3879
[¿¼ÑÐ] 333Çóµ÷¼Á +3 ÎÄ˼¿Í 2026-03-16 7/350 2026-03-16 18:21 by ÎÄ˼¿Í
[¿¼ÑÐ] 326Çóµ÷¼Á +4 ŵ±´¶û»¯Ñ§½±êéê 2026-03-15 7/350 2026-03-16 17:11 by ŵ±´¶û»¯Ñ§½±êéê
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +6 ÄÝÄÝninicgb 2026-03-15 9/450 2026-03-16 16:40 by houyaoxu
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á £¬Áù¼¶Òѹý£¬ÓпÆÑо­Àú +7 êØÎõÙâ 2026-03-15 7/350 2026-03-16 16:34 by houyaoxu
[¿¼ÑÐ] 321Çóµ÷¼Á +5 ´óÃ×·¹£¡ 2026-03-15 5/250 2026-03-16 16:33 by houyaoxu
[¿¼ÑÐ] 311Çóµ÷¼Á +5 26ÑÐ0 2026-03-15 5/250 2026-03-16 16:21 by a²»Ò×
[¿¼ÑÐ] 297Ò»Ö¾Ô¸ÉϽ»085600Çóµ÷¼Á +5 Ö¸¼â°ËǧÀï 2026-03-14 5/250 2026-03-14 17:26 by a²»Ò×
[¿¼ÑÐ] Ò»Ö¾Ô¸°²»Õ´óѧ²ÄÁϹ¤³Ìר˶313·Ö£¬Çóµ÷¼ÁµÄѧУ +8 YuÏÈÉú 2026-03-10 10/500 2026-03-14 01:04 by JourneyLucky
[¿¼ÑÐ] 0856²ÄÁÏÓ뻯¹¤309·ÖÇóµ÷¼Á +6 ZyZy¡­¡­ 2026-03-10 6/300 2026-03-14 00:38 by JourneyLucky
[¿¼ÑÐ] 318Çóµ÷¼Á +3 Àîйâ 2026-03-10 3/150 2026-03-14 00:21 by JourneyLucky
[¿¼ÑÐ] 26µ÷¼Á/²ÄÁÏ/Ó¢Ò»Êý¶þ/×Ü·Ö289/ÒѹýAÇøÏß +6 ²½´¨¿á×Ï123 2026-03-13 6/300 2026-03-13 21:59 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 332Çóµ÷¼Á +3 Zz°æ 2026-03-13 3/150 2026-03-13 20:36 by 18595523086
[¿¼ÑÐ] 274Çóµ÷¼Á +3 S.H1 2026-03-12 3/150 2026-03-13 15:15 by JourneyLucky
[¿¼ÑÐ] 328»¯¹¤×¨Ë¶Çóµ÷¼Á +4 ¡££¬¡££¬¡££¬¡£i 2026-03-12 4/200 2026-03-13 14:44 by JourneyLucky
[ÂÛÎÄͶ¸å] Ͷ¸åÎÊÌâ 5+4 Ðǹâ²ÓÀÃxt 2026-03-12 6/300 2026-03-13 14:17 by god_tian
[¿¼ÑÐ] 08ʳƷ»òÇṤÇóµ÷¼Á£¬±¾¿Æ·¢±í3ƪsciÒ»ÇøtopÂÛÎÄ£¬Ò»Ö¾Ô¸ÄÏʦ´óʳƷ¿ÆÑ§Ó빤³Ì +3 ÎÒÊÇÒ»¸ö±ø£¬ 2026-03-10 3/150 2026-03-13 10:21 by Yuyi.
[¿¼ÑÐ] ¹¤¿Æ0856ר˶»¯Ñ§¹¤³Ì269Äܵ÷¼ÁÂð +10 ÎÒÏë¶ÁÑÐ11 2026-03-10 10/500 2026-03-13 10:14 by Yuyi.
[¿¼ÑÐ] 341Çóµ÷¼Á +4 µ·µ°ÖíÖí 2026-03-11 4/200 2026-03-12 14:47 by ruiyingmiao
[¿¼ÑÐ] 085602»¯¹¤Çóµ÷¼Á +7 ¶­boxing 2026-03-10 7/350 2026-03-10 17:07 by BruceLiu320
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û