±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 964  |  »Ø¸´: 3

nkleof

Òø³æ (ÕýʽдÊÖ)

[ÇóÖú] vasp¼Óµç³¡¼ÆËã³ö´í ÒÑÓÐ1È˲ÎÓë

ÔÚ¼ÆËãÍêµÚÒ»²½Î޵糡ϵĻù̬֮ºó£¬Ó¦¸Ã½øÈëµÚ¶þ²½ÖØÐ²úÉúkµã£¬¼ÆËã³õʼ¼«»¯ÂÊ£¬µ«ÊÇÿ´Î¶¼ÔÚÕâÀïvasp¾ÍÍ£ÏÂÀ´ÁË£¬±¨´í£º
*** glibc detected *** vasp_5: malloc(): memory corruption: 0x00000000032a68c0 ***
µ«ÊÇûÓÐ×Ô¶¯Í˳ö¡£
ÇóÖ¸µã£¬Õâ¿ÉÄÜÊÇʲôԭÒòÔì³ÉµÄ£¿
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

DFT¼Óµç³¡

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

nkleof

Òø³æ (ÕýʽдÊÖ)

¾­¹ý³¢ÊÔ·¢ÏÖ¿ÉÄÜÊÇÒòΪ¹ØµôÁ˶ԳÆÐÔ£¬¼´°ÑISYMÉèÖÃΪ0µ¼Öµġ£
ÇóÖ¸µã»ò½âÊÍ¡£
2Â¥2012-05-13 10:58:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

nkleof

Òø³æ (ÕýʽдÊÖ)

²ÉÈ¡ÔÚINCARÀïÃæÉèÖÃISYM=2£¬SYMPREC=1E-9ºó£¬Ç°ÃæÌáµ½µÄÎÊÌâ²»ÔÙ³öÏÖ£¬µ«ÊÇÔÚ½øÐе½µÚÈý²½µÄʱºò³öÏÖÈçϵĴíÎó£º
internal error in KPOINT_IN_FULL_GRID: can not find   0.166666671633720
ÇóÖ¸µã¡£
3Â¥2012-05-18 08:58:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÄäÃû

Óû§×¢Ïú (ÕýʽдÊÖ)

±¾Ìû½öÂ¥Ö÷¿É¼û
4Â¥2017-03-21 09:09:16
ÒÑÔÄ   ÉêÇë1STÇ¿Ìû   »Ø¸´´ËÂ¥   ±à¼­   ²é¿´ÎÒµÄÖ÷Ò³
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ nkleof µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 0703»¯Ñ§Çóµ÷¼Á +7 ÄÌÓͲÝÝ®. 2026-03-22 8/400 2026-03-28 09:59 by ÉñÂí¶¼²»¶®
[¿¼ÑÐ] 292Çóµ÷¼Á +14 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-25 15/750 2026-03-28 08:45 by WYUMater
[¿¼ÑÐ] 086502»¯Ñ§¹¤³Ì342Çóµ÷¼Á +6 °¢Ò̸´¹Å²»¹ý 2026-03-27 6/300 2026-03-28 07:06 by wangy0907
[¿¼ÑÐ] 265Çóµ÷¼Á11408 +3 ÁõС¹lu 2026-03-27 3/150 2026-03-27 20:53 by nihaoar
[¿¼²©] 26É격 +3 ¼ÓÓͳ尡£¡ 2026-03-26 3/150 2026-03-27 15:38 by cls512
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤µ÷¼Á +10 A-¶ßÀ²ZÃÎ 2026-03-23 16/800 2026-03-27 15:13 by caszguilin
[¿¼ÑÐ] 22408 359·Öµ÷¼Á +3 Qshers 2026-03-27 3/150 2026-03-27 12:22 by wxiongid
[¿¼ÑÐ] 316Çóµ÷¼Á +5 Pigcasso 2026-03-24 5/250 2026-03-27 12:10 by zhshch
[¿¼ÑÐ] 312Çóµ÷¼Á +9 Éϰ¶°ÉZJY 2026-03-22 13/650 2026-03-27 11:24 by sanrepian
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉÂʦ´óÉúÎïѧ071000£¬298·Ö£¬Çóµ÷¼Á +5 SYA£¡ 2026-03-23 5/250 2026-03-27 09:29 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 329Çóµ÷¼Á +7 Å¥¶÷Ñ© 2026-03-25 7/350 2026-03-27 04:28 by wxiongid
[¿¼ÑÐ] 281Çóµ÷¼Á +3 ÑÇ¿ËÎ÷good 2026-03-26 5/250 2026-03-26 19:48 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] ¸÷λÀÏʦÄúºÃ£º±¾È˳õÊÔ372·Ö +5 jjÓ¿77 2026-03-25 6/300 2026-03-25 14:15 by mapenggao
[¿¼ÑÐ] 0854È˹¤ÖÇÄÜ·½ÏòÕÐÊÕµ÷¼Á +4 ÕÂСÓã567 2026-03-24 4/200 2026-03-25 13:29 by 2177681040
[¿¼ÑÐ] 282Çóµ÷¼Á +3 wcq131415 2026-03-24 3/150 2026-03-25 12:16 by userper
[¿¼ÑÐ] 289²ÄÁÏÓ뻯¹¤£¨085600£©BÇøÇóµ÷¼Á +4 ÕâôÃû×ÖÕ¦Ñù 2026-03-22 5/250 2026-03-25 08:20 by mx.yue
[¿¼ÑÐ] 292Çóµ÷¼Á +4 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-24 4/200 2026-03-24 16:41 by peike
[¿¼²©] 26É격×Ô¼ö +3 whh869393 2026-03-24 3/150 2026-03-24 09:55 by 21018060
[¿¼ÑÐ] 269Çóµ÷¼Á +4 ÎÒÏë¶ÁÑÐ11 2026-03-23 4/200 2026-03-23 21:25 by pswait
[¿¼ÑÐ] 276Çóµ÷¼Á +3 YNRYG 2026-03-21 4/200 2026-03-23 08:31 by ×íÔÚ·çÀï
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û