| ²é¿´: 17817 | »Ø¸´: 224 | |||||||||||||||
| ¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û183´Î£¬×÷ÕßUpp_peterÔö¼Ó½ð±Ò 143.6 ¸ö | |||||||||||||||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | |||||||||||||||
[×ÊÔ´]
Ò»ÖÖp4vaspÅäºÏVASPÄ£ÄâSTMͼµÄ·½·¨
|
|||||||||||||||
| ×Ô¼º¸ù¾ÝVASPÊÖ²áºÍÍøÂçÉÏһЩ½Ì³ÌÃþË÷µÄVASPÄ£ÄâSTMͼµÄ·½·¨ |
» ±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 : VASPÄ£ÄâSTMµÄ·½·¨.pdf
2013-10-15 15:56:19, 494.58 K
» ÊÕ¼±¾ÌûµÄÌÔÌûר¼ÍƼö
ÄÉÃ×¼¼ÊõÓëÄÜÔ´¼°Ä£Äâ | ѧϰ×ÊÁÏ£¨Àí¹¤Àࣩ | VASP | VASP |
µÚÒ»ÐÔÔÀí¼ÆËã-tg | ¿ÆÑÐÈí¼þСÉñÆ÷ | Á¿»¯Èí¼þ | vaspµÄÏà¹Ø×ÊÁÏ |
Á¿»¯,µÚÒ»ÐÔ,MD±Ê¼Ç | Á¿×Ó»¯Ñ§¼ÆËãÓëʹÓþÑé | µÚÒ»ÐÔ | ÓÐÓõÄÌû×Ó |
vasp |
» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©
» ²ÂÄãϲ»¶
0856²ÄÁÏר˶353Çóµ÷¼Á
ÒѾÓÐ8È˻ظ´
²ÄÁÏÓ뻯¹¤085600£¬×Ü·Ö304£¬±¾¿ÆÓÐÁ½Æªsci²ÎÓ룬Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
Äϲý´óѧ²ÄÁÏר˶311·ÖÇóµ÷¼Á
ÒѾÓÐ9È˻ظ´
²ÄÁÏÓ뻯¹¤¿¼Ñе÷¼Á
ÒѾÓÐ12È˻ظ´
340Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
°²»Õ´óѧר˶ÉúÎïÓëҽҩרҵ(086000)324·Ö£¬Ó¢ÓïÒѹýËÄÁù¼¶£¬Áù¼¶521£¬Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
292Çóµ÷¼Á
ÒѾÓÐ12È˻ظ´
085600²ÄÁÏÓ뻯¹¤306
ÒѾÓÐ10È˻ظ´
359Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
¹ØÓÚVASP +phonopy µÄÁ½ÖÖ¼ÆËã·½·¨ IBRIONµÄÉèÖÃÎÊÌâ
ÒѾÓÐ14È˻ظ´
vasp+dfptËãÉù×ÓÐÔÖÊÓÃphonopyÈí¼þ´¦ÀíÊý¾ÝʱµÃµ½bandÍ¼ÕæµÄ²»ÈÌÖ±ÊÓ£¬ËüÔõôÁË£¿£¿
ÒѾÓÐ17È˻ظ´
²ÄÁÏÄ£ÄâÓë¼ÆËã VASPÈí¼þÅàѵ°à£¬ºÃ×ÊÔ´¸ú´ó¼Ò·ÖÏí£¡
ÒѾÓÐ14È˻ظ´
ÔõôÓÃp4vasp»ÄÜ´øÍ¼£¿£¿£¿ÇóÖú
ÒѾÓÐ4È˻ظ´
¹ØÓÚvaspÄ£ÄâSTMʱƫѹÎÊÌâ
ÒѾÓÐ5È˻ظ´
p4VASPÑ¡ÔñÔ×Ó
ÒѾÓÐ12È˻ظ´
VASP¼ÆËãÊý¾Ý»µçºÉÃܶÈͼ
ÒѾÓÐ12È˻ظ´
Lev00´¦ÀíVASPÃæµçºÉÃܶȷ½·¨£¨ºîÀÏʦ°æ£©
ÒѾÓÐ122È˻ظ´
ÓÃp4vasp´¦Àí̬Ãܶȵ¼²»³öÊý¾Ý
ÒѾÓÐ7È˻ظ´
P4VASP×öpdos½»Á÷£¬¼°ºóÐøorigin¼ÆËãd-band center
ÒѾÓÐ34È˻ظ´
¡¾ÇóÖú¡¿ÇëÎÊÈçºÎÓÃP4VASPÔÚLINUXϵͳÏ»ÄÜ´øÍ¼£¬»òÕßµ¼³öÊý¾Ý
ÒѾÓÐ5È˻ظ´
¸÷λ´óÏÀ£¬vaspϼÆËãÍêÄÜ´øÈçºÎ×÷ͼ
ÒѾÓÐ12È˻ظ´
VASP ̬ÃܶÈͼÇóÖú
ÒѾÓÐ3È˻ظ´
»VASP¼ÆËãµÄÔ×ӽṹͼµÄÒ»¸ö·½·¨£¨×Ô¼ºÏ¹ÏëµÄ£¬ÈçºÍËûÈË·½·¨À×ͬÇë¼ûÁ£©
ÒѾÓÐ4È˻ظ´
¡¾ÇóÖú¡¿¹ØÓÚvasp½øÐзÖ×Ó¶¯Á¦Ñ§Ä£ÄâµÄÇóÖú
ÒѾÓÐ12È˻ظ´
¡¾ÇóÖú¡¿ÇólinuxϵÄp4vasp
ÒѾÓÐ4È˻ظ´
¡¾Ô´´¡¿vaspµÄ·Ö×Ó¶¯Á¦Ñ§Ä£Äâ
ÒѾÓÐ44È˻ظ´
22Â¥2013-10-19 21:49:34
9Â¥2013-10-16 10:43:26
10Â¥2013-10-16 23:56:46
¼òµ¥»Ø¸´
wangjb4012Â¥
2013-10-15 19:11
»Ø¸´
ÎåÐÇºÃÆÀ ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
cumtòåòå3Â¥
2013-10-15 19:55
»Ø¸´
ÎåÐÇºÃÆÀ ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
onebeing4Â¥
2013-10-15 20:22
»Ø¸´
ÎåÐÇºÃÆÀ ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
guodonglin5Â¥
2013-10-15 21:56
»Ø¸´
ÎåÐÇºÃÆÀ ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
bearpow6Â¥
2013-10-16 00:35
»Ø¸´
ÈýÐÇºÃÆÀ ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2013-10-16 08:08
»Ø¸´
ÎåÐÇºÃÆÀ ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
10513581878Â¥
2013-10-16 10:41
»Ø¸´
ÎåÐÇºÃÆÀ ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
chenyuchen11Â¥
2013-10-17 02:36
»Ø¸´
ÎåÐÇºÃÆÀ ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ÂþÌìÆ®Ñ©12Â¥
2013-10-17 08:06
»Ø¸´
ÎåÐÇºÃÆÀ ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
nicolemikeyi13Â¥
2013-10-17 08:24
»Ø¸´
ÎåÐÇºÃÆÀ ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wdxiao14Â¥
2013-10-17 09:15
»Ø¸´
ÎåÐÇºÃÆÀ ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡














»Ø¸´´ËÂ¥
fenghuihui22
