µ±Ç°Î»Ö㺠Ê×Ò³ > ¼ÆËãÄ£Äâ >vasp+phonopy¼ÆËãÉù×Ó³öÏÖÎÊÌâÔõô½â¾ö

vasp+phonopy¼ÆËãÉù×Ó³öÏÖÎÊÌâÔõô½â¾ö

×÷Õß txk841773326
À´Ô´: Сľ³æ 500 10 ¾Ù±¨Ìû×Ó
+¹Ø×¢

¸÷λ´óÉñ£¬±¾ÈËÄ¿Ç°ÕýÔÚ×öVASP+phonopy¼ÆËãʯīϩÉù×ÓƵÂÊ£¬ÔÚvaspÉù×Ó¼ÆËã½áÊøÒÔºó£¬ÐèÒªphonopyÊÕ¼¯¼ÆËã½á¹ûÖеÄvasprun.xml¡£µ«ÊÇÊäÈëphonopy -f vasprun.xmlÃüÁîÒԺ󣬲¢²»ÄÜcreate FORCE-SETÕâ¸öÎļþ£¬³öÏÖ´íÎóÈçÏ£ºAny of "phonopy_disp.yaml" or "disp.yaml" was not found.ÊÇʲôÒâ˼£¬Ôõô½â¾ö£¡ ·µ»ØСľ³æ²é¿´¸ü¶à

½ñÈÕÈÈÌû
  • ¾«»ªÆÀÂÛ
  • gclai

    ´ó¸ÅÂÊÄãµÄһЩ³¬°û½á¹¹Ã»ÓмÆËãÍê³É£¬Äã×Ðϸ¼ì²éÒ»ÏÂÆÁÄ»Êä³öÎļþ£¬¿´¿´ÊÇ·ñÓгö´íÐÅÏ£¬

  • 123dingyc

    -fc

  • 123dingyc

    ºóÃæÒª¼Ó001£¬002µÈ

  • fxoc8093

    ÄúºÃ ÎÒÏÖÔÚ¸Õ¸Õ½Ó´¥ ÇëÎÊ·½±ã¼ÓÒ»ÏÂÄúµÄÁªÏµ·½Ê½×ÉѯһÏÂô

²ÂÄãϲ»¶
ÏÂÔØСľ³æAPP
Óë700Íò¿ÆÑдïÈËËæʱ½»Á÷
  • ¶þάÂë
  • IOS
  • °²×¿