±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 4868  |  »Ø¸´: 16

lidx123

ľ³æ (СÓÐÃûÆø)

[½»Á÷] abinitÈí¼þ°²×°²½Ö裨Çײ⣩ ÒÑÓÐ6È˲ÎÓë

±¾ÈËѧϰabinitÈí¼þÓнüÒ»ÄêµÄʱ¼äÁË£¬³£³£¿´µ½ÓгõѧÕßÎʵ½¹ØÓÚ°²×°µÄÎÊÌ⣬ÏÖ·ÖÏí×Ô¼ºÇײâµÄ°²×°²½Ö裬·Ç³£µÄ¼òµ¥ºÃÓá£
»Ø¸´´ËÂ¥

» ±¾Ìû¸½¼þ×ÊÔ´Áбí

  • »¶Ó­¼à¶½ºÍ·´À¡£ºÐ¡Ä¾³æ½öÌṩ½»Á÷ƽ̨£¬²»¶Ô¸ÃÄÚÈݸºÔð¡£
    ±¾ÄÚÈÝÓÉÓû§×ÔÖ÷·¢²¼£¬Èç¹ûÆäÄÚÈÝÉæ¼°µ½ÖªÊ¶²úȨÎÊÌ⣬ÆäÔðÈÎÔÚÓÚÓû§±¾ÈË£¬Èç¶Ô°æÈ¨ÓÐÒìÒ飬ÇëÁªÏµÓÊÏ䣺xiaomuchong@tal.com
  • ¸½¼þ 1 : °²×°abinit.odt
  • 2014-04-04 16:47:11, 20.06 K

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

Abinit¼°Ïà¹ØÐ¡³ÌÐò Èí¼þ½»Á÷

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

0.8

¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2Â¥2014-04-06 23:04:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lidx123

ľ³æ (СÓÐÃûÆø)

лл·ÖÏí
3Â¥2014-04-07 11:50:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

0.8

¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
4Â¥2014-04-08 15:48:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

luqing6879

ľ³æ (ÖøÃûдÊÖ)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÄãºÃ£¬ÎÒÏÖÔÚÊÇÔÚmac os x 10.8ϱàÒë°²×°abinit7.6.3£¬³öÏÖÒÔÏ´íÎóÐÅÏ¢£¬Õâ¸öÕý³£Ã´£¿
/Volumes/MacSSD/scratch/qinglu/ccnNhGqK.s:1035:no such instruction: `vmulsd %xmm5, %xmm0,%xmm0'
/Volumes/MacSSD/scratch/qinglu/ccnNhGqK.s:1036:no such instruction: `vdivsd %xmm4, %xmm0,%xmm4'
/Volumes/MacSSD/scratch/qinglu/ccnNhGqK.s:1037:no such instruction: `vaddsd %xmm4, %xmm9,%xmm4'
/Volumes/MacSSD/scratch/qinglu/ccnNhGqK.s:1038:no such instruction: `vmovsd %xmm4, (%rax)'
make[3]: *** [numeric.o] Error 1
make[2]: *** [all-recursive] Error 1
make[1]: *** [all-recursive] Error 1
make: *** [all] Error 2
cishan.goodweb.cn/´ÈÉÆµã»÷£¬µãµÎ°ïÖú¡£
5Â¥2014-04-14 13:44:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

¿¨¿ª·¢·¢

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

Ab Initio Amateur

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
5Â¥: Originally posted by luqing6879 at 2014-04-14 13:44:23
ÄãºÃ£¬ÎÒÏÖÔÚÊÇÔÚmac os x 10.8ϱàÒë°²×°abinit7.6.3£¬³öÏÖÒÔÏ´íÎóÐÅÏ¢£¬Õâ¸öÕý³£Ã´£¿
/Volumes/MacSSD/scratch/qinglu/ccnNhGqK.s:1035:no such instruction: `vmulsd %xmm5, %xmm0,%xmm0'
/Volumes/MacSSD/sc ...

ÎÒ֮ǰҲ³ö¹ýÕâ¸öÎÊÌ⣬ÁíÍ⣬ͨ¹ýMacOSÏÂÓÃGCCÄܱàÒë³É¹¦£¬µ«ÊÇÔËÐеÄʱºò¶Á²»³öPOSCAR£¬¶Á³öÀ´ionºÍelectronic¶¼ÊÇ0.

ËùÒÔÎÒ²âÊÔÏÂÀ´MacÏÂÖ»ÄÜÔËÐÐSISESTAºÍPWscf¡£ÎÞÄΡ£¡£
²»ÐоÍȥѧPWscf°É¡£¡£¡£
²»Ò»¶¨¹ÒÔÚÂÛ̳£¬¼ÆËãÎÊÌâÎÊÌâ»¶Ó­ÁôÑÔ¡£
6Â¥2014-04-14 18:58:08
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lidx123

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
5Â¥: Originally posted by luqing6879 at 2014-04-14 13:44:23
ÄãºÃ£¬ÎÒÏÖÔÚÊÇÔÚmac os x 10.8ϱàÒë°²×°abinit7.6.3£¬³öÏÖÒÔÏ´íÎóÐÅÏ¢£¬Õâ¸öÕý³£Ã´£¿
/Volumes/MacSSD/scratch/qinglu/ccnNhGqK.s:1035:no such instruction: `vmulsd %xmm5, %xmm0,%xmm0'
/Volumes/MacSSD/sc ...

ÎÒÊÇÖ±½ÓÔÚµçÄÔÉÏ×°µÄubuntu12.04°æ±¾£¬È»ºó°²×°MKL£¬¸üУ¬È»ºó°²×°abinit£¬Ó¦¸ÃÊÇ¿ÉÒԵġ£
7Â¥2014-04-14 19:51:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

luqing6879

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
7Â¥: Originally posted by lidx123 at 2014-04-14 19:51:09
ÎÒÊÇÖ±½ÓÔÚµçÄÔÉÏ×°µÄubuntu12.04°æ±¾£¬È»ºó°²×°MKL£¬¸üУ¬È»ºó°²×°abinit£¬Ó¦¸ÃÊÇ¿ÉÒԵġ£...

ºÃµÄ¡£Ð»Ð»¡£
cishan.goodweb.cn/´ÈÉÆµã»÷£¬µãµÎ°ïÖú¡£
8Â¥2014-04-15 00:40:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

luqing6879

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
6Â¥: Originally posted by ¿¨¿ª·¢·¢ at 2014-04-14 18:58:08
ÎÒ֮ǰҲ³ö¹ýÕâ¸öÎÊÌ⣬ÁíÍ⣬ͨ¹ýMacOSÏÂÓÃGCCÄܱàÒë³É¹¦£¬µ«ÊÇÔËÐеÄʱºò¶Á²»³öPOSCAR£¬¶Á³öÀ´ionºÍelectronic¶¼ÊÇ0.

ËùÒÔÎÒ²âÊÔÏÂÀ´MacÏÂÖ»ÄÜÔËÐÐSISESTAºÍPWscf¡£ÎÞÄΡ£¡£
²»ÐоÍȥѧPWscf°É¡£¡£¡£...

àÅ¡£Ð»Ð»¡£ºÜÓаïÖú¡£
ÇëÎʹØÓÚÕâÁ½¸öÈí¼þ£¬ÄÜ·ñ¸ø¸öÆÀ¼Ûô£¿±ÈÈç¼ÆËãЧÂÊ£¬Ò×ÉÏÊÖÐÔʲôµÄ¡£
cishan.goodweb.cn/´ÈÉÆµã»÷£¬µãµÎ°ïÖú¡£
9Â¥2014-04-15 00:40:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

¿¨¿ª·¢·¢

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

Ab Initio Amateur

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
7Â¥: Originally posted by lidx123 at 2014-04-14 19:51:09
ÎÒÊÇÖ±½ÓÔÚµçÄÔÉÏ×°µÄubuntu12.04°æ±¾£¬È»ºó°²×°MKL£¬¸üУ¬È»ºó°²×°abinit£¬Ó¦¸ÃÊÇ¿ÉÒԵġ£...

MacOSÇé¿öÓÐЩ²»Ò»Ñù¡£
²»Ò»¶¨¹ÒÔÚÂÛ̳£¬¼ÆËãÎÊÌâÎÊÌâ»¶Ó­ÁôÑÔ¡£
10Â¥2014-04-15 03:41:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ lidx123 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 283Çóµ÷¼Á£¨080500£© +5 A child 2026-03-27 5/250 2026-03-29 19:26 by 1939136013¹·×³
[¿¼ÑÐ] 296Çóµ÷¼Á +5 ±Ë°¶t 2026-03-29 5/250 2026-03-29 16:54 by ÐÜÒ»µ¶
[¿¼ÑÐ] 317·Ö Ò»Ö¾Ô¸ÄÏÀí¹¤²ÄÁϹ¤³Ì ±¾¿Æºþ¹¤´ó Çóµ÷¼Á +9 ÓóÄàСÁåîõ 2026-03-28 9/450 2026-03-29 11:46 by longlotian
[¿¼ÑÐ] 085701Çóµ÷¼Á³õÊÔ286·Ö +4 secret0328 2026-03-28 4/200 2026-03-28 21:09 by 15366876211
[¿¼ÑÐ] 283Çóµ÷¼Á +3 A child 2026-03-28 3/150 2026-03-28 15:41 by ms629
[¿¼ÑÐ] Çóµ÷¼Á +3 QiMing7 2026-03-25 4/200 2026-03-28 14:30 by QiMing7
[¿¼ÑÐ] 291Çóµ÷¼Á +6 HanBeiNingZC 2026-03-24 6/300 2026-03-28 07:55 by baoball
[¿¼ÑÐ] 086502»¯Ñ§¹¤³Ì342Çóµ÷¼Á +6 °¢Ò̸´¹Å²»¹ý 2026-03-27 6/300 2026-03-28 07:06 by wangy0907
[¿¼ÑÐ] 315·ÖÇóµ÷¼Á +7 26¿¼ÑÐÉϰ¶°æ26 2026-03-26 7/350 2026-03-28 04:05 by fmesaito
[¿¼ÑÐ] 291Çóµ÷¼Á +7 ‹üÈA 2026-03-22 7/350 2026-03-28 04:02 by fmesaito
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉϺ£Àí¹¤ÄÜÔ´¶¯Á¦£¨085800£©310·ÖÇóµ÷¼Á +3 zhangmingc 2026-03-27 4/200 2026-03-27 19:01 by ¸øÄãÄã×¢ÒâÐÝÏ¢
[¿¼ÑÐ] µ÷¼ÁÍÆ¼ö +5 Ç徯714 2026-03-26 6/300 2026-03-27 11:12 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +8 Æ¥¿Ëi 2026-03-23 8/400 2026-03-27 08:11 by hypershenger
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +4 ´Þwj 2026-03-26 4/200 2026-03-27 08:04 by chemisry
[¿¼ÑÐ] 332Çóµ÷¼Á +6 032500 2026-03-25 6/300 2026-03-25 22:45 by 418490947
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϺ½ 335·Ö | 0856²ÄÁÏ»¯¹¤ | GPA 4.07 | ÓпÆÑо­Àú +6 cccchenso 2026-03-23 6/300 2026-03-25 22:25 by 544594351
[¿¼ÑÐ] ²ÄÁÏר˶ 335 ·ÖÇóµ÷¼Á +4 ¾Ü¾øÀ䱩Á¦ 2026-03-25 4/200 2026-03-25 18:45 by haxia
[¿¼ÑÐ] 347Çóµ÷¼Á +4 L when 2026-03-25 4/200 2026-03-25 13:37 by cocolv
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϺ½²ÄÁÏר317·ÖÇóµ÷¼Á +5 ըѽըѽըÊíÌõ 2026-03-23 5/250 2026-03-24 16:52 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 292Çóµ÷¼Á +4 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-24 4/200 2026-03-24 16:41 by peike
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û