Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 2066  |  »Ø¸´: 6

jackjiejl

ľ³æ (СÓÐÃûÆø)

[ÇóÖú] ²Å¿ªÊ¼Ñ§Ï°vaspÈí¼þ£¬²âÊÔʱ×ÜÊdzöÏÖ¹ØÓÚ Gamma-pointµÄ ´íÎó ÒÑÓÐ1È˲ÎÓë

±¾È˸ոսӴ¥vaspÈí¼þ£¬Áã»ù´¡¿ªÊ¼¡£vasp°²×°ÔÚÉîÛÚ³¬ËãÉÏ£¬ÔÚ²âÊÔʱ×ÜÊdzöÏÖÏÂÃæµÄ´íÎó£¬ÎÒ°ÑÀÏʦ¸øµÄÀý×ÓÖÐËĸöÊäÈëÎļþ·Å½øÈ¥ÔËÐÐÒ²»¹ÊÇÔÚÕâ³ö´íÁË£¬Ï£Íû¸ßÊÖÃÇÄܹ»ÌṩԮÖúÖ®ÊÖ£¬Ð»Ð»!
You are using the Gamma-point only version with more than one k-point  |
|      or some other non Gamma k-point   )                                    |
|

²Å¿ªÊ¼Ñ§Ï°vaspÈí¼þ£¬²âÊÔʱ×ÜÊdzöÏÖ¹ØÓÚ Gamma-pointµÄ ´íÎó
W3]X`{J{HX)T3%_AX04C8UC.png
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

¼ÓÓÍ
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jackjiejl

ľ³æ (СÓÐÃûÆø)

¼ÓÓÍ
2Â¥2015-07-09 17:14:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

KalaShayminS

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
jackjiejl: ½ð±Ò+5, ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸, ллÄú 2015-07-09 19:48:05
VASP°²×°´íÁË£¬±àÒëµÄÊÇGamma°æ±¾£¬Gamma°æ±¾²»ÄÜËãÒ»°ãµÄÓÐÒ»¸öÒÔÉÏkµãµÄÌåϵ¡£
3Â¥2015-07-09 17:39:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jackjiejl

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
3Â¥: Originally posted by KalaShayminS at 2015-07-09 17:39:49
VASP°²×°´íÁË£¬±àÒëµÄÊÇGamma°æ±¾£¬Gamma°æ±¾²»ÄÜËãÒ»°ãµÄÓÐÒ»¸öÒÔÉÏkµãµÄÌåϵ¡£

ÄúµÄÒâ˼ÊÇ£¬Èí¼þ°²×°´íÁË£¬Èí¼þ±¾ÉíûÓÐÎÊÌâ°É£¿ Èí¼þ°üÊÇ vasp.5.3.2.tar ºÍvasp.5.lib.tar   ÉîÛÚ³¬ËãÄDZ߰ïæ°²×°µÄ¡£
¼ÓÓÍ
4Â¥2015-07-09 18:21:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

KalaShayminS

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

ÒýÓûØÌû:
4Â¥: Originally posted by jackjiejl at 2015-07-09 18:21:09
ÄúµÄÒâ˼ÊÇ£¬Èí¼þ°²×°´íÁË£¬Èí¼þ±¾ÉíûÓÐÎÊÌâ°É£¿ Èí¼þ°üÊÇ vasp.5.3.2.tar ºÍvasp.5.lib.tar   ÉîÛÚ³¬ËãÄDZ߰ïæ°²×°µÄ¡£...

VASPÔ´´úÂë¿ÉÒÔ±àÒë³öºÃ¼¸¸ö°æ±¾£¬ÆÕͨµÄ£¬Gamma°æ£¬NC°æ£¬µÈµÈ£¬ÄãµÄ¼ÆËãÐèÒªÒ»¸öÆÕͨµÄ°æ±¾£¬µ«ÊÇ×°µÄÊÇGamma°æ±¾

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

5Â¥2015-07-09 19:00:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jackjiejl

ľ³æ (СÓÐÃûÆø)

Ëͺ컨һ¶ä
ÒýÓûØÌû:
5Â¥: Originally posted by KalaShayminS at 2015-07-09 19:00:52
VASPÔ´´úÂë¿ÉÒÔ±àÒë³öºÃ¼¸¸ö°æ±¾£¬ÆÕͨµÄ£¬Gamma°æ£¬NC°æ£¬µÈµÈ£¬ÄãµÄ¼ÆËãÐèÒªÒ»¸öÆÕͨµÄ°æ±¾£¬µ«ÊÇ×°µÄÊÇGamma°æ±¾...

ºÃµÄ£¬ÕâÏÂÎÒÖÕÓÚ¶®ÁË£¬·Ç³£¸ÐлÄú
¼ÓÓÍ
6Â¥2015-07-09 19:47:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

snow0804

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
6Â¥: Originally posted by jackjiejl at 2015-07-09 19:47:29
ºÃµÄ£¬ÕâÏÂÎÒÖÕÓÚ¶®ÁË£¬·Ç³£¸ÐлÄú...

Äܲ»Äܸø½âÊÍÄúÊÇÔõô½â¾öµÄÎÒÒ²Óöµ½Õâ¸öÎÊÌâÁË£¬Ð»Ð»ÁË
7Â¥2015-09-23 11:46:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ jackjiejl µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] µ÷¼ÁÇóÖú£¨ÉúÎïÓëÒ½Ò©£© +4 @6952 2026-04-06 4/200 2026-04-07 16:16 by ÀÁ³æ¶ùÀ¤
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉúÎïÓëÒ½Ò©£¬296·Ö£¬Çóµ÷¼Á +11 66¹ 2026-04-03 13/650 2026-04-06 21:45 by 52305043001
[¿¼ÑÐ] ÉúÎïÓëÒ½Ò©Çóµ÷¼Á +7 heguanhua 2026-04-05 8/400 2026-04-06 18:41 by macy2011
[¿¼ÑÐ] 385·Ö ÉúÎïѧ£¨071000£©Çóµ÷¼Á +12 qf626 2026-04-01 12/600 2026-04-06 17:36 by 52305043001
[¿¼ÑÐ] ר˶304ÕÒµ÷¼Á£¬Ò»Ïß³ÇÊÐ×îºÃ +3 ÀîlslÀî 2026-04-05 3/150 2026-04-06 12:16 by ffffjjjj
[¿¼ÑÐ] Çóµ÷¼Á +10 Hllºú 2026-04-04 10/500 2026-04-05 20:09 by nepu_uu
[¿¼ÑÐ] 329Çóµ÷¼Á +17 miaodesi 2026-04-02 20/1000 2026-04-05 18:33 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +8 ÏàÐűػá¹ââÍòÕ 2026-04-05 10/500 2026-04-05 12:19 by Hdyxbekcb
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +9 ¸ï΢¹ð 2026-04-04 9/450 2026-04-05 08:27 by 544594351
[¿¼ÑÐ] ²ÄÁÏר˶322·Ö +11 ¹þ¹þ¹þºðºðºð¹þ 2026-04-02 11/550 2026-04-04 23:37 by ÓÀ×ÖºÅ
[¿¼ÑÐ] Ò»Ö¾Ô¸»¦985£¬326·ÖÇóµ÷¼Á +3 Áõīī 2026-04-03 3/150 2026-04-04 11:16 by ±¯É˵ÄÓóÍ·
[¿¼ÑÐ] 400·ÖÇóµ÷¼Á +3 ÞÏÞÎÇÒÄÓÍ· 2026-04-04 3/150 2026-04-04 08:41 by jp9609
[¿¼ÑÐ] 387Çóµ÷¼Á +4 °®³ÔƬ¶¹ÍÁ 2026-04-03 5/250 2026-04-04 08:10 by °¶ÉϵÄÒ»ÌõÓã
[¿¼ÑÐ] 294Çóµ÷¼Á +6 Grey_Ey 2026-04-03 6/300 2026-04-03 20:46 by ÐÀϲ777
[¿¼ÑÐ] 303Çóµ÷¼Á +3 һɫÇåÓð 2026-04-02 4/200 2026-04-03 10:22 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 295Çóµ÷¼Á +7 Ô¸ÂÃ;ÓÀԶ̹Ȼ 2026-04-02 7/350 2026-04-03 08:22 by fangshan711
[¿¼²©] É격ÇóÖú +3 Reee1Llll 2026-04-01 3/150 2026-04-02 22:29 by ÕâÊÇÒ»¸öÎÞÁĵÄê
[¿¼ÑÐ] 285Çóµ÷¼Á +8 AZMK 2026-04-02 11/550 2026-04-02 20:16 by yulian1987
[¿¼ÑÐ] µ÷¼Á +3 ºÃºÃ¶ÁÊé¡£ 2026-04-01 6/300 2026-04-02 15:49 by liumengping
[¿¼ÑÐ] Ò»Ö¾Ô¸ ÄϾ©º½¿Õº½Ìì´óѧ £¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶ +10 @taotao 2026-03-31 11/550 2026-04-01 09:43 by xiayizhi
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û