|
|
[ÇóÖú]
²¢ÐÐvaspÔËÐÐÎÊÌâ
ÐÂÊÖ£¬ÔÚ×Ô¼ºµÄ±Ê¼Ç±¾Éϰ²×°Á˲¢ÐеÄvasp 5.2¡£
×Ô¼ºÕÒÁËЩexample·ÅÔÚvasp³ÌÐòËùÔÚĿ¼ÀïÃæ£¬È»ºóÒªËãµÄʱºò»á³öÏÖÏÂÃæµÄ´íÎó£º
####
Error reading item 'VCAIMAGES' from file INCAR.
####
µ«ÊÇÎÒ·¢ÏÖÈç¹ûÎÒ½øÈëvaspËùÔÚĿ¼£¬ÔËÐÐÓÖ×ÜÊÇûÓÐÎÊÌâµÄ£¡
±ÈÈç˵£º
####
(1)
cd ~/vasp
(2)
vasp
»òÕß
mpirun -np 8 vasp
####
¶¼ÄÜ˳ÀûÍê³É¼ÆËã¡£
¸Ð¾õÕâ¸ö´íÎóÊÇÄĸöµØ·½Ã»ÓÐÉèÖÃÕýÈ·µ¼Öµģ¬µ«ÊÇÿ´Î¶¼±ØÐëÅܵ½Ä¿Â¼Ï²ÅÄܼÆËã¡£
´ó¼ÒÓÐûÓÐÓöµ½ÀàËÆµÄÎÊÌâµÄ£¿
¸ßÊÖ¸øÖ§¸öÕаɣ¡£¡
¶àлÀ²£¡£¡ |
» ²ÂÄãϲ»¶
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ11È˻ظ´
ΪʲôÖйú´óѧ¹¤¿Æ½ÌÊÚÃÇË®ÁËÄÇô¶àËùνµÄ¶¥»á¶¥¿¯£¬µ«»¹ÊÇ×ö²»³öÓîÊ÷»úÆ÷ÈË£¿
ÒѾÓÐ8È˻ظ´
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ5È˻ظ´
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ6È˻ظ´
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ7È˻ظ´
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ7È˻ظ´
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ9È˻ظ´
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ4È˻ظ´
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ6È˻ظ´
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ5È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
|