| ²é¿´: 766 | »Ø¸´: 9 | |||
| µ±Ç°Ö÷ÌâÒѾ´æµµ¡£ | |||
yaogejluÖÁ×ðľ³æ (СÓÐÃûÆø)
|
[½»Á÷]
¡¾ÇóÖú¡¿Castep·ÑÃ×ÄܸßÓÚ×î¸ßÄÜ´ø
|
||
|
´ó¼ÒºÃ£¬ ÎÒÔÚÓÃCastep½øÐй̶¨¾§°ûÌõ¼þϵÄÔ×ÓλÖÃÓÅ»¯Ê±ÔÚseedname.castepÎļþÖгöÏÖÈçÏ´íÎó£º Error, Fermi energy is above the highest band in electronic_find_fermi_free Current trace stack: electronic_find_fermi_free electronic_find_fermi_energy electronic_occupancy_update electronic_minimisation geom_get_forces geom_BFGS geometry_optimise castep Trapped SIGINT or SIGTERM. Exiting... Trapped SIGINT or SIGTERM. Exiting... MPI_CPU_AFFINITY set to RANK, setting affinity of rank 1 pid 3214 on host node06 to cpu 1 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 0 pid 3213 on host node06 to cpu 0 MPI_CPU_AFFINITY set to RANK, setting affinity of rank 2 pid 3215 on host node06 to cpu 2 MPI Application rank 0 exited before MPI_Finalize() with status 1 Çë´ó¼Ò°ïæ¿´Ò»ÏÂÊÇʲôÔÒòµ¼Ö³ö´í¡£ ¼ÆËãÆ½Ì¨Îªlinux 3ºËÐÄCPU²¢ÐС£ °æ±¾Îª Materials-studio 4.3 |
» ²ÂÄãϲ»¶
²ÄÁÏÓ뻯¹¤µ÷¼Á
ÒѾÓÐ26È˻ظ´
Ò»Ö¾Ô¸211£¬»¯Ñ§310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á
ÒѾÓÐ19È˻ظ´
Çóµ÷¼Á288
ÒѾÓÐ7È˻ظ´
298Çóµ÷¼Á
ÒѾÓÐ13È˻ظ´
281Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
265Çóµ÷¼Á
ÒѾÓÐ11È˻ظ´
301Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
343Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
272·Ö²ÄÁÏ×ÓÇóµ÷¼Á
ÒѾÓÐ18È˻ظ´
273Çóµ÷¼Á
ÒѾÓÐ57È˻ظ´
jghe
½ð³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 10 (Ó×¶ùÔ°)
- ¹ó±ö: 0.225
- ½ð±Ò: 112.2
- É¢½ð: 5
- ºì»¨: 3
- Ìû×Ó: 1481
- ÔÚÏß: 123Сʱ
- ³æºÅ: 322338
- ×¢²á: 2007-03-11
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
- ¹ÜϽ: Á¿×Ó»¯Ñ§
2Â¥2010-01-10 21:06:09
xirainbow
ľ³æ (ÕýʽдÊÖ)
- 1STÇ¿Ìû: 2
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ¹ó±ö: 0.03
- ½ð±Ò: 2132.6
- ºì»¨: 2
- Ìû×Ó: 775
- ÔÚÏß: 6.1Сʱ
- ³æºÅ: 431211
- ×¢²á: 2007-08-11
- רҵ: ¹âÆ×ѧ
¡ï ¡ï ¡ï
yaogejlu(½ð±Ò+1,VIP+0): 1-11 11:22
ice_rain(½ð±Ò+1,VIP+0):ллָµ¼ 1-11 19:37
yaogejlu(½ð±Ò+1,VIP+0): 1-15 21:47
yaogejlu(½ð±Ò+1,VIP+0): 1-11 11:22
ice_rain(½ð±Ò+1,VIP+0):ллָµ¼ 1-11 19:37
yaogejlu(½ð±Ò+1,VIP+0): 1-15 21:47
|
Fermi energy is above the highest band in electronic nbandÊýÄ¿¹ýСÔì³É µÄ |
3Â¥2010-01-10 21:28:30
yaogejlu
ÖÁ×ðľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 15834
- ºì»¨: 1
- Ìû×Ó: 275
- ÔÚÏß: 89Сʱ
- ³æºÅ: 419633
- ×¢²á: 2007-07-07
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
4Â¥2010-01-11 11:09:17
yaogejlu
ÖÁ×ðľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 15834
- ºì»¨: 1
- Ìû×Ó: 275
- ÔÚÏß: 89Сʱ
- ³æºÅ: 419633
- ×¢²á: 2007-07-07
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
¡ï
fegg7502(½ð±Ò+1,VIP+0):thank you very much! 1-17 18:10
fegg7502(½ð±Ò+1,VIP+0):thank you very much! 1-17 18:10
| ллxirainbow£¬ÇëÎÊÊÇÌá¸ßCastep Electronic Options ÀïÃæµÄSCFÑ¡ÏÖеÄEmpty bans µÄ°Ù·Ö±ÈÂð£¬Ò²¾ÍÊÇseedname.param ÖеÄnextra_bandsµÄÖµ°É£¿ |
5Â¥2010-01-11 11:21:47
happyjwx
ľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 3099.5
- É¢½ð: 70
- Ìû×Ó: 178
- ÔÚÏß: 176.9Сʱ
- ³æºÅ: 934744
- ×¢²á: 2009-12-29
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
¡ï ¡ï ¡ï
yaogejlu(½ð±Ò+1,VIP+0): 1-11 22:55
zxzj05(½ð±Ò+1,VIP+0):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷ 1-12 21:28
yaogejlu(½ð±Ò+1,VIP+0): 1-15 21:47
yaogejlu(½ð±Ò+1,VIP+0): 1-11 22:55
zxzj05(½ð±Ò+1,VIP+0):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷ 1-12 21:28
yaogejlu(½ð±Ò+1,VIP+0): 1-15 21:47
|
¶Ô£¬¶àÈ¡¼¸¸ö¿ÕÄÜ´ø¾Í¿ÉÒÔÁË¡£ÊÔһϠһ°ãµÄÈí¼þ¶¼ÊÇ˵ÉèÖÿմøÊýÄ¿£¬CASTEPÊǰ´±ÈÀýÉèÖà ![]() Ìá¸ßµ½30%ÊÔÊÔ°É |

6Â¥2010-01-11 12:47:21
awmc2008
ÖÁ×ðľ³æ (ÎÄ̳¾«Ó¢)
ѧϰÕß
- Ó¦Öú: 62 (³õÖÐÉú)
- ½ð±Ò: 13780.6
- ºì»¨: 10
- Ìû×Ó: 12282
- ÔÚÏß: 736.8Сʱ
- ³æºÅ: 600677
- ×¢²á: 2008-09-12
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ

7Â¥2010-01-11 20:13:10
happyjwx
ľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 3099.5
- É¢½ð: 70
- Ìû×Ó: 178
- ÔÚÏß: 176.9Сʱ
- ³æºÅ: 934744
- ×¢²á: 2009-12-29
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ

8Â¥2010-01-11 20:51:42
yaogejlu
ÖÁ×ðľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 15834
- ºì»¨: 1
- Ìû×Ó: 275
- ÔÚÏß: 89Сʱ
- ³æºÅ: 419633
- ×¢²á: 2007-07-07
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
9Â¥2010-01-11 22:54:43
yaogejlu
ÖÁ×ðľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 15834
- ºì»¨: 1
- Ìû×Ó: 275
- ÔÚÏß: 89Сʱ
- ³æºÅ: 419633
- ×¢²á: 2007-07-07
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
¡ï
fegg7502(½ð±Ò+1,VIP+0):thank you very much! 1-17 18:10
fegg7502(½ð±Ò+1,VIP+0):thank you very much! 1-17 18:10
|
лл´ó¼ÒµÄÈÈÇé°ïÖú£¬ÎÒ½«¿Õ´øÊýÌá¸ßµ½30£¥µ½ÏÖÔÚËäÈ»»¹Ã»ÓÐËãÍ꣬µ«Êdzö´íµÄÄǸöµØ·½ÔçÒѾËã¹ýÈ¥ÁË£¬Ó¦¸ÃÊÇûÓÐÎÊÌâÁË¡£ ÔٴθÐлjghe¡¢xirainbow¡¢happyjwxµÄÈÈÇé°ïÖú¡£ |
10Â¥2010-01-15 21:47:22













»Ø¸´´ËÂ¥

