±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 4912  |  »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

qingeraaa

Òø³æ (СÓÐÃûÆø)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

ѧϰÁË£¬Ð»Ð»Â¥Ö÷¡£¡£
ÎÒÏëÎÊһϠÔõôÄܹ»ÈÃÄÜ´ø²»Òª°´ÕÕÄÜÁ¿¸ßµÍ»­Ïߣ¬¶øÊǰ´ÕÕ¶Ô³ÆÐÔ·ÖÀ࣬Ȼºó¿´ÄÜ´øÊÇÓÉÄÄЩ¹ìµÀ¹±Ï׵ģ¿
12Â¥2013-11-14 11:21:50
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

¡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

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
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
[¿¼ÑÐ] 0703Ò»Ö¾Ô¸9£¬³õÊԳɼ¨£º338£¬ËÄÁù¼¶Òѹý£¬ÓпÆÑо­Àú£¬Çóµ÷¼Á£¡ +3 Zuhui0306 2026-03-25 3/150 2026-03-27 14:09 by shangxh
[¿¼ÑÐ] 275Çóµ÷¼Á +5 jjjjjjjjjjl 2026-03-27 5/250 2026-03-27 12:52 by lature00
[¿¼ÑÐ] 299Çóµ÷¼Á +6 àÅàÅàÅàÅ2 2026-03-27 6/300 2026-03-27 12:43 by ¹û¹ûÂèßä
[¿¼ÑÐ] 22408 359·Öµ÷¼Á +3 Qshers 2026-03-27 3/150 2026-03-27 12:22 by wxiongid
[¿¼ÑÐ] ²ÄÁÏÇóµ÷¼Á +5 .m.. 2026-03-25 5/250 2026-03-27 11:08 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 292Çóµ÷¼Á +4 ÇóÇóÁËÊÕÏÂÎÒ°É£ 2026-03-26 4/200 2026-03-27 10:37 by zhshch
[¿¼ÑÐ] 0703»¯Ñ§338Çóµ÷¼Á£¡ +6 Zuhui0306 2026-03-26 7/350 2026-03-27 10:35 by shangxh
[˶²©¼ÒÔ°] ±±¾©ÁÖÒµ´óѧ˶µ¼ÕÐÉú¹ã¸æ +6 kongweilin 2026-03-26 8/400 2026-03-27 10:18 by FF_16
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +8 Æ¥¿Ëi 2026-03-23 8/400 2026-03-27 08:11 by hypershenger
[¿¼ÑÐ] 085602»¯Ñ§¹¤³ÌÇóµ÷¼Á¡£ +4 ƽÀÖÀÖÀÖ 2026-03-26 4/200 2026-03-26 17:57 by fmesaito
[¿¼ÑÐ] 085602 289·ÖÇóµ÷¼Á +8 WWWÎ÷Î÷¸¥Ë¹ 2026-03-24 8/400 2026-03-26 16:33 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 086000ÉúÎïÓëÒ½Ò©292Çóµ÷¼Á +6 СС³ÂСС 2026-03-22 9/450 2026-03-26 15:58 by dick_runner
[¿¼ÑÐ] 0856µ÷¼Á +4 ÇóÇóÈÃÎÒÓÐÊé¶Á° 2026-03-26 5/250 2026-03-26 15:54 by dick_runner
[¿¼ÑÐ] Ò»Ö¾Ô¸Ìì½ò´óѧ339²ÄÁÏÓ뻯¹¤Çóµ÷¼Á +3 ½­ÍùÂôÓã 2026-03-26 3/150 2026-03-26 09:42 by ÍõСǷi
[¿¼ÑÐ] 303Çóµ÷¼Á +6 À¶É½Ô 2026-03-25 6/300 2026-03-25 22:47 by 418490947
[¿¼ÑÐ] ¿¼Ñе÷¼Á +6 À´ºÃÔËÀ´À´À´ 2026-03-21 7/350 2026-03-25 22:43 by 418490947
[¿¼ÑÐ] Çóµ÷¼Á +6 ÑÐÑУ¬½Óµç»° 2026-03-24 7/350 2026-03-24 17:01 by barlinike
[¿¼ÑÐ] ²ÄÁÏ/ũҵרҵ£¬07/08¿ªÍ·¾ù¿É£¬¹ýÏß¾ÍÐÐ +3 ºÇßíŶ»í 2026-03-23 4/200 2026-03-23 22:30 by Íô£¡£¿£¡
[¿¼ÑÐ] 333Çóµ÷¼Á +3 ALULU4408 2026-03-23 3/150 2026-03-23 19:04 by macy2011
[¿¼ÑÐ] Ò»Ö¾Ô¸070300Õã´ó»¯Ñ§358·Ö£¬Çóµ÷¼Á£¡ +4 ËÖËÖÓã.. 2026-03-21 4/200 2026-03-23 08:12 by Iveryant
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û