²é¿´: 5434  |  »Ø¸´: 55
¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û41´Î£¬×÷ÕßsouledgeÔö¼Ó½ð±Ò 32.2 ¸ö
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

[×ÊÔ´] Quantum-ESPRESSO 5.0.3£¬Windows 32-bit£¬´®Ðаæ

ÔÚMinGWÏ£¬³É¹¦Ê¹ÓÃgfortranºÍgcc±àÒëÁË´®ÐаæµÄPW 5.0.3£¨ÒѾ­´òÉÏÁË5.0.2 to 5.0.3µÄ²¹¶¡£©¡£
µ±È»£¬ÓÉÓÚÓÖÊÇWindows£¬ÓÖÊÇ´®ÐУ¬ÓÖÊÇGNU±àÒëÆ÷£¬²»Òª¶ÔЧÂÊÓÐÌ«¸ßµÄÒªÇóÁË¡£ÊÂʵÉÏ£¬Ö¸ÍûÓÃÕâ¸öÀ´×ö¼ÆË㹤×÷»ù±¾²»Ì«¿ÉÄÜ¡£²»¹ý£¬ÓÃÕâ¸ö°æ±¾ÔÚLinux±àÒë֮ǰѧϰһÏÂPWscfµÄʹÓã¬ÊÔÓÃÒ»ÏÂLinuxÏÂÈí¼þʹÓõĸÐÊÜ£¬»¹ÊDz»´íµÄ£¬Ò²¿ÉÒÔ×öµ½Èí¼þѧϰºÍ±àÒëѧϰÁ½ÊÖ×¥Âï¡£
±¾´ÎÌṩµÄ±àÒëºóµÄÄ£¿é·Ö±ðÓУº
1£¬PWscfµÄ»ù±¾³ÌÐò£ºpw.exe
2£¬Éù×Ó¼ÆËãÄ£¿é
3£¬ÄÜ´ø¼ÆËãÄ£¿é
4£¬Ì¬ÃܶȼÆËãÄ£¿é
5£¬µçºÉÃܶȻæÖÆÄ£¿é
6£¬NEBÄ£¿é
7£¬TDDFPTÄ£¿é
8£¬ØÍÊÆÉú³ÉÄ£¿é
˳±ã¸½¼ÓÁËÒ»¸öСÀý×Ó£¬¼ÆËãAlAsµÄÄÜ´ø½á¹¹£¬¿ÉÒÔ°´ÕÕ£º
CODE:
pw.exe < AlAs.scf.in
pw.exe < AlAs.nscf.in
bands.exe < AlAs.bands.in
plotband.exe < AlAs.plotband.in

µÄ˳Ðò½øÐмÆËã¡£
ËùνµÄ¡°°²×°¡±·½·¨ÓëÌû£ºhttp://muchong.com/bbs/viewthread.php?tid=4923069&fpage=3 ÖÐËùÊöÏàͬ£¬ÇëÄÇЩֻϲ»¶Ë«»÷È´´Ó²»¿´ÎÄÏ×/½Ì³ÌµÄÀÁÈËÃDz»ÒªÓ²ÉúÉúÀ´¾ä¡°Ë«»÷ÎÞ·¨ÔËÐС±£¬°Ñ×Ô¼ºµÄÈ«ÔðÍÆ³ÉËûÈ˵ĴíÎó¡£
˳±ã¶à˵һ¾ä£¬¼ÈÈ»ÊÇ×ö¼ÆË㣬»ù±¾µÄ¼ÆËã»ú֪ʶ×ÜÒª×Ô¼º²¹°É£¿¾ÍºÃÏñ×öµç¾µµÄ¿Ï¶¨ÒªÖªµÀµç¾µ»ù±¾½á¹¹ºÍ»úÀí£¬¿ªÆû³µµÄÔÚ¼ÝУÀíÂÛ¿ÎÉÏ»¹µÃ½²½âÒ»µãÆû³µµÄ»ù±¾ÖªÊ¶£¬×ö¼ÆËãÈ´²»È¥ÁË½â¼ÆËã»ú£¬Á¬×Ô¼ºµÄ³Ô·¹µÄ¹¤¾ß£¨ÖÁÉÙÊÇÑо¿ÉúÆÚ¼ä£©¶¼ÀÁµÃ¹ØÐÄ£¬ÊDz»ÊÇ̫˵²»¹ýÈ¥ÁËÄØ£¿
¼ÆËãºóµÄAlAsÄÜ´ø½á¹¹Í¼£º
Quantum-ESPRESSO 5.0.3£¬Windows 32-bit£¬´®Ðаæ ÏÖÔÚQuantum EspressoµÄ¹Ù·½ÏÂÔØÍøÕ¾ÌṩÁË×îаæQEµÄWindows°æ±¾£¬·Ö±ðΪ32bitºÍ64bitµÄ´®Ðм°²¢Ðа档¶ÔÓÚ±¾ÌùÖеÄ×ÊÔ´¿ÉÒÔÎÞÊÓÁË¡£

[ Last edited by souledge on 2015-5-3 at 19:38 ]
»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 : QE_5.0.3_Win32_SeriesEds.rar
  • 2013-11-13 14:17:31, 26.69 M

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

¾«»ªÍøÌûÊÕ¼¯ nice resource MSѧϰ

» ²ÂÄãϲ»¶

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

¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö


Â¥Ö÷Ã²ËÆÃ¿´Î¶¼ºÜÃͰ¡£¡£¡
4Â¥2013-11-13 17:28:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 56 ¸ö»Ø´ð

¼ÓÓͱ¿µ°

ľ³æ (СÓÐÃûÆø)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

ºÜ²»´í°¡£¬Ð»Ð»À²
3Â¥2013-11-13 16:58:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

shihuangzhe

½ð³æ (СÓÐÃûÆø)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

ÔÞÒ»¸ö£¡ 5.0.3µÄ°æ±¾Ê²Ã´Ê±ºò³öÀ´µÄѽ£¿

[ ·¢×ÔÊÖ»ú°æ http://muchong.com/3g ]
5Â¥2013-11-13 18:29:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hakuna

ľ³æ (ÖªÃû×÷¼Ò)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

QEµÄNEBÄ£¿éÄÜ´®ÐÐʹÓÃÂð£¿
6Â¥2013-11-13 18:44:30
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
2013-11-13 18:53   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2013-11-14 08:07   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
xmc21210Â¥
2013-11-14 09:02   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
¡î ÎÞÐǼ¶ ¡ï Ò»ÐǼ¶ ¡ï¡ï¡ï ÈýÐǼ¶ ¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[»ù½ðÉêÇë] ͶƱ:  ÓжàÉÙÈËÊǽñÌì²éϵͳ֪µÀ½á¹ûµÄ£¿ +12 °®¿´ÊéµÄ¿ÉÀÖ 2026-08-26 14/700 2026-08-26 12:49 by coolysnow
[»ù½ðÉêÇë] ÄÄλ¸ßÈËÖÐÁË£¬°Ñ²éѯµ½µÄ½ØÍ¼Ìù³öÀ´ÈÃÎÒ¿´¿´£¬ÈÃÎÒ³¤³¤¼ûʶ +3 yuleib84 2026-08-26 3/150 2026-08-26 12:34 by xiacongxu
[»ù½ðÉêÇë] ¿ÆÑй¶ùÌ«ÄÑÁË +21 ÎÒ4´ó°×²Ë 2026-08-20 22/1100 2026-08-26 11:29 by nlgza
[»ù½ðÉêÇë] ¹úºÏÀïÃæÄÜ¿´µ½ÁË +7 Ò»»³Ü°Çï 2026-08-26 7/350 2026-08-26 11:23 by zhaosm1982
[»ù½ðÉêÇë] ÏîÄ¿ÐÅÏ¢ºÍ¾­·ÑÐÅÏ¢ÔÚϵͳÀï¶¼¿ÉÒÔ¿´µ½ÁË +6 wittyboy 2026-08-26 14/700 2026-08-26 10:55 by wittyboy
[»ù½ðÉêÇë] ½ñÌìÎñί»á¿ªÍêÁË£¬Ã÷Ìì³ö½á¹ûÂð +19 angus9576 2026-08-25 23/1150 2026-08-26 10:03 by zp519
[Ö°³¡ÈËÉú] ѧÉúײ¼û¸¨µ¼Ô±ËÍÍâÂô£¬µÚ¶þÌìÈ«°à¶¼³ÁĬÁË +3 ¾¨ÓãÈÚ½ð_Õã½­_É 2026-08-22 3/150 2026-08-26 09:01 by zzuzxg
[»ù½ðÉêÇë] Å£À´£¡Ã×À´£¡ÃæÀ´£¡ +8 beefly 2026-08-26 8/400 2026-08-26 08:37 by xuzhipiao
[»ù½ðÉêÇë] 2026Äê8ÔÂ25ÈÕ¹ú×ÔÈ»·Å°ñǰͻȻÊÕµ½ÁÐÈëÆÀÉóר¼ÒÓʼþ£¬ÓйØÏµÂ𣿠+24 ľˮ˼¶¹ 2026-08-25 27/1350 2026-08-26 08:26 by yanchen918
[»ù½ðÉêÇë] ÔÚ¼á±ù»¹¸Ç×ű±º£µÄʱºò£¬ÎÒ¿´µ½ÁËÅ­·ÅµÄ÷»¨¡£ (½ð±Ò+10) +6 ziyangfang 2026-08-25 9/450 2026-08-25 20:26 by huagongfeihu
[»ù½ðÉêÇë] ·Å°ñǰµÄ²»µ­¶¨ 20+4 snowwithsea 2026-08-19 19/950 2026-08-25 17:57 by chick875
[»ù½ðÉêÇë] Èç¹û´Ë¿ÌÄãÕýÔÚΪ¹ú»ù¸Ðµ½½¹ÂÇ£¬²»·ÁÀ´ÌýÌýÕâÊס¶»ù½ðÖ®Íâ¡· +8 scalable 2026-08-24 8/400 2026-08-25 12:52 by jnhyjjm
[»ù½ðÉêÇë] ûÓÐÈκÎÏûÏ¢-ÊDz»ÊǾÍÁ¹ÁË +9 ͼÀ²Í¼À² 2026-08-24 10/500 2026-08-25 11:59 by ÄϺ£Ð¡¸ç
[»ù½ðÉêÇë] ÎÒÃæÉÏÍêµ°ÁË +13 ÇÒÌý»¢Ð¥ 2026-08-20 14/700 2026-08-25 09:10 by mrkang
[»ù½ðÉêÇë] Ö»ÓÐÿÄêÕâÖÖʱºòÀ´¹ä¹äСľ³æ +25 yaoyewhu2008 2026-08-20 27/1350 2026-08-25 08:01 by Equinoxhua
[»ù½ðÉêÇë] ½¨Òé»ù½ð·¢²¼Ìáǰ¸ø³öÃ÷È·µÄʱ¼äµã +13 kulium 2026-08-21 16/800 2026-08-24 16:27 by superceng
[»ù½ðÉêÇë] ÈÃÎÒÖÐÒ»¸öÃæÉϰɣ¡ +13 ´óƼ1987 2026-08-20 16/800 2026-08-24 10:23 by ̫ɵÁË
[»ù½ðÉêÇë] ¿´À´½ñÌì²»»á·Å°ñÁË£¿ +8 chengyan1220 2026-08-21 11/550 2026-08-21 17:52 by dcqxinyang
[»ù½ðÉêÇë] Ó¦¸ÃÊÇÏÂÖÜÈý26ÈÕ¹«²¼Á˰ɣ¿ +4 ¹þ¹þ¸ò£¿ 2026-08-21 4/200 2026-08-21 10:58 by Vivilian
[»ù½ðÉêÇë] »ù½ð°¡»ù½ð +4 longfie172 2026-08-20 4/200 2026-08-21 08:58 by mark mao
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û