Znn3bq.jpeg
²é¿´: 640  |  »Ø¸´: 5
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£

СС½ðÊéÇ©

[½»Á÷] ¡¾ÇóÖú¡¿PWSCF VASP

PWSCF Óë VASP µÄÖ÷񻂿±ð
  PWSCFµÄÓŵãȱµã
  PWSCFÄÄЩ·½Ãæ±ÈVASPÇ¿
лл
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

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

gavinliu7390

ľ³æ (ÖøÃûдÊÖ)

Ò¶ÂäÓ¥·É

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
zxzj05(½ð±Ò+1,VIP+0):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷ 11-18 02:02
in fact, pwscf can use pertubation DFT method to calculate phonon frequency and electron phonon interaction.  vasp can't do it .
but it is rather fast to relax structure by vasp .
ÕæÀíÊÇÒ»µãµã½Ó½üµÄ£¡
2Â¥2009-11-16 21:55:26
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

y1ding

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
zxzj05(½ð±Ò+1,VIP+0):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷ 11-18 02:02
Ö÷񻂿±ðÔÚÓÚVASPÊÕ·Ñ
PWÃâ·Ñ.
3Â¥2009-11-17 00:09:39
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

СС½ðÊéÇ©

ÒÉÎÊ

Á½Î»ËµµÄ¶¼²»´í
Ö»ÊÇPWSCFÒ²²»´í,ΪʲôÓõÄÈËÃ²ËÆÃ»ÓÐVASP¶àÄØ
4Â¥2009-11-18 11:16:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lz830617

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
yjmaxpayne(½ð±Ò+2,VIP+0):лл·ÖÏí 11-18 17:46
PWSCFÊÇÆ½Ã沨ØÍÊÆ·½·¨¡£
VASP¿ÉÑ¡½»»»¹ØÁªº¯Êý£¬ºÍ»ù×é¡£Ïà±ÈÖ®ÏÂVASPҪ׼ȷһЩ¡£²¢ÐÐÏ£¬VASPЧÂʸü¸ß¡£
5Â¥2009-11-18 15:01:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

fanchen021

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

LS˵µÄºÜºÃ
6Â¥2009-11-18 16:57:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ СС½ðÊéÇ© µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 269Çóµ÷¼Á +10 °¡°¡ÎÒÎÒ 2026-04-07 10/500 2026-04-10 10:38 by ¸ßά´º
[¿¼ÑÐ] µ÷¼Á +19 ²»·ê´º 2026-04-05 20/1000 2026-04-10 10:15 by may_ÐÂÓî
[¿¼ÑÐ] 292Çóµ÷¼Á +9 ЦЦԬ 2026-04-09 9/450 2026-04-10 10:05 by LHGeng
[¿¼ÑÐ] 293Çóµ÷¼Á +5 ÓÂÔ¶¿â°®314 2026-04-08 5/250 2026-04-10 08:46 by vgtyfty
[¿¼²©] ²©Ê¿×Ô¼ö +7 ¿É¿ÉСÅÖ 2026-04-08 7/350 2026-04-10 08:28 by kimhero
[¿¼ÑÐ] 305Çóµ÷¼Á +4 77Qi 2026-04-07 4/200 2026-04-09 17:27 by wp06
[¿¼ÑÐ] 085501»úеר˶ 302·Ö ²»ÌôרҵÇóµ÷¼Á +5 Íôij. 2026-04-09 5/250 2026-04-09 15:38 by ½¯ð©Óí
[¿¼ÑÐ] 349ѧ¿Æ»¯Ñ§045106Çóµ÷¼Á£¬»¯Ñ§Àà¶¼¿ÉÒÔ +8 ±£ºÃ¶®¶® 2026-04-08 8/400 2026-04-09 14:03 by xulei3024
[¿¼ÑÐ] ²ÄÁϹ¤³Ì322 +18 ¹þ¹þ¹þºðºðºð¹þ 2026-04-07 19/950 2026-04-09 10:44 by cymywx
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬0703»¯Ñ§305·ÖÇóµ÷¼Á +20 ÑÏÎ÷Î÷Ï· 2026-04-06 26/1300 2026-04-08 22:12 by ¿­¿­Òª±ä˧
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£ÖÝ´óѧ085600Çóµ÷¼Á +21 ³ÔµÄ²»ÉÙ 2026-04-05 24/1200 2026-04-08 16:47 by sunhuadong
[¿¼ÑÐ] Ò»Ö¾Ô¸¼ª´ó»¯Ñ§327Çóµ÷¼Á +12 ÍõÍõ°×ʯ 2026-04-06 13/650 2026-04-08 16:05 by luoyongfeng
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§Ñ§Ë¶£¬310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +10 ŬÁ¦·Ü¶·112 2026-04-07 10/500 2026-04-08 15:01 by screening
[¿¼ÑÐ] 283·ÖÇóµ÷¼Á +14 ÊÔÊÔ¿´ß 2026-04-04 14/700 2026-04-08 07:03 by lijunpoly
[¿¼ÑÐ] 304Çóµ÷¼Á£¨085602£¬¹ýËļ¶£¬Ò»Ö¾Ô¸985£© +25 »¯¹¤ÈË999 2026-04-04 26/1300 2026-04-07 22:06 by hemengdong
[¿¼ÑÐ] 287·ÖÇóµ÷¼Á ÓÐרÀû¹ú½±Ò»Ö¾Ô¸¹þ¹¤´ó085406 +6 °×Ò׳½ 2026-04-06 7/350 2026-04-06 22:46 by 875465
[¿¼ÑÐ] 327Çóµ÷¼Á +4 ʰ¹âÈÎȾ 2026-04-05 4/200 2026-04-05 20:16 by ÄϺ½~ÍòÀÏʦ
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +8 ÏàÐűػá¹ââÍòÕ 2026-04-05 10/500 2026-04-05 12:19 by Hdyxbekcb
[¿¼ÑÐ] ÊýÒ»Ó¢Ò»274»úеµ÷¼Á +5 ÐÇÔÉÁ÷ϼ 2026-04-04 6/300 2026-04-05 11:38 by arrow8852
[¿¼ÑÐ] 319Çóµ÷¼Á +4 ÐÇÐDz»Õ£ÑÛà¶ 2026-04-03 4/200 2026-04-04 16:25 by ÖзÉÔº¿Õ¹ÜѧԺÑ
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û