| ²é¿´: 1088 | »Ø¸´: 15 | |||
| µ±Ç°Ö÷ÌâÒѾ´æµµ¡£ | |||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | |||
ethuͳæ (СÓÐÃûÆø)
|
[½»Á÷]
¡¾ÇóÖú¡¿ÓÃVASP¼ÆËãÇâ·Ö×ÓµÄÄÜÁ¿ÐèÒªµÄËĸöÊäÈëÎļþ¶¼ÔÚ£¬Ìáʾ˵´íÎ󣬲»½â£¿
|
||
|
INCAR: SYSTEM = H atom in a box ISMEAR = 0 ! Gaussian smearing SIGMA = 0.01 ENCUT = 350.0 KPOINTS: Automatic mesh 0 Monkhorst-Pack 1 1 1 0. 0. 0. POSCAR: H atom in a box 1.0 ! universal scaling parameters 7.0 0.0 0.0 ! lattice vector a(1) 0.0 8.0 0.0 ! lattice vector a(2) 0.0 0.0 9.0 ! lattice vector a(3) 1 ! number of atoms cart ! positions in cartesian coordinates 0 0 0 ѡȡPAW_PBEÎļþ¼ÐϵÄHÏÂÃæµÄPOTCAR |
» ²ÂÄãϲ»¶
267Ò»Ö¾Ô¸ÄϾ©¹¤Òµ´óѧ0817»¯¹¤Çóµ÷¼Á
ÒѾÓÐ7È˻ظ´
Ò»Ö¾Ô¸»ªÖпƼ¼´óѧ£¬080502£¬354·ÖÇóµ÷¼Á
ÒѾÓÐ3È˻ظ´
Ò»Ö¾Ô¸Öйúº£Ñó´óѧ£¬ÉúÎïѧ£¬301·Ö£¬Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
Ò»Ö¾Ô¸ÎäÀí²ÄÁÏ305·ÖÇóµ÷¼Á
ÒѾÓÐ6È˻ظ´
²ÄÁÏר˶ӢһÊý¶þ306
ÒѾÓÐ3È˻ظ´
085600²ÄÁÏÓ뻯¹¤µ÷¼Á 324·Ö
ÒѾÓÐ7È˻ظ´
311Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
26µ÷¼Á/²ÄÁÏ/Ó¢Ò»Êý¶þ/×Ü·Ö289/ÒѹýAÇøÏß
ÒѾÓÐ7È˻ظ´
295Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
354Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)
ethu
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 147.4
- ºì»¨: 3
- Ìû×Ó: 173
- ÔÚÏß: 56.5Сʱ
- ³æºÅ: 939018
- ×¢²á: 2010-01-08
- ÐÔ±ð: GG
- רҵ: ¹âѧ
|
distr: one band on 1 nodes, 1 groups vasp.4.6.28 25Jul05 complex POSCAR found : 1 types and 1 ions LDA part: xc-table for Pade appr. of Perdew ----------------------------------------------------------------------------- | | | EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### | | E R R R R O O R R ### ### ### | | E R R R R O O R R ### ### ### | | EEEEE RRRRRR RRRRRR O O RRRRRR # # # | | E R R R R O O R R | | E R R R R O O R R ### ### ### | | EEEEEEE R R R R OOOOOOO R R ### ### ### | | | | Error reading KPOINTS file | | the error occured at line: 6 | | Error reading KPOINTS file | | the error occured at line: 6 | | | ------------------------------------------------------------- |
4Â¥2010-02-01 09:01:54
liyong.gan
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 33 (СѧÉú)
- ½ð±Ò: 132.5
- É¢½ð: 1038
- ºì»¨: 2
- Ìû×Ó: 323
- ÔÚÏß: 400.6Сʱ
- ³æºÅ: 685265
- ×¢²á: 2008-12-31
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
2Â¥2010-01-31 23:03:41
ethu
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 147.4
- ºì»¨: 3
- Ìû×Ó: 173
- ÔÚÏß: 56.5Сʱ
- ³æºÅ: 939018
- ×¢²á: 2010-01-08
- ÐÔ±ð: GG
- רҵ: ¹âѧ
|
distr: one band on 1 nodes, 1 groups vasp.4.6.28 25Jul05 complex POSCAR found : 1 types and 1 ions LDA part: xc-table for Pade appr. of Perdew ----------------------------------------------------------------------------- | | | EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### | | E R R R R O O R R ### ### ### | | E R R R R O O R R ### ### ### | | EEEEE RRRRRR RRRRRR O O RRRRRR # # # | | E R R R R O O R R | | E R R R R O O R R ### ### ### | | EEEEEEE R R R R OOOOOOO R R ### ### ### | | | | Error reading KPOINTS file | | the error occured at line: 6 | | Error reading KPOINTS file | | the error occured at line: 6 | | | ------------------------------------------------------------- |
3Â¥2010-02-01 09:01:23
ethu
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 147.4
- ºì»¨: 3
- Ìû×Ó: 173
- ÔÚÏß: 56.5Сʱ
- ³æºÅ: 939018
- ×¢²á: 2010-01-08
- ÐÔ±ð: GG
- רҵ: ¹âѧ
|
distr: one band on 1 nodes, 1 groups vasp.4.6.28 25Jul05 complex POSCAR found : 1 types and 1 ions LDA part: xc-table for Pade appr. of Perdew ----------------------------------------------------------------------------- | | | EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### | | E R R R R O O R R ### ### ### | | E R R R R O O R R ### ### ### | | EEEEE RRRRRR RRRRRR O O RRRRRR # # # | | E R R R R O O R R | | E R R R R O O R R ### ### ### | | EEEEEEE R R R R OOOOOOO R R ### ### ### | | | | Error reading KPOINTS file | | the error occured at line: 6 | | Error reading KPOINTS file | | the error occured at line: 6 | | | ------------------------------------------------------------- |
5Â¥2010-02-01 09:03:01













»Ø¸´´ËÂ¥