²é¿´: 5234  |  »Ø¸´: 16

gougou531

½û³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
±¾ÌûÄÚÈݱ»ÆÁ±Î

11Â¥2012-03-03 08:52:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chinagoodnes

гæ (СÓÐÃûÆø)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÎÒ¾õµÃÎÞËùνÀ²£¬Ö»Òª×îºóÄܹ»Õý³£ÊÕÁ²¾ÍºÃÁË£¬¶ÁwavecarÎÒ¸öÈ˸оõÎ޷ǾÍÊÇÊÕÁ²µÄ¿ìÒ»µã¶øÒÑ£¬¸öÈËÓÞ¼û¡£¡£Çó¸ßÊÖÖ¸µã¡£¡£¡£
12Â¥2013-08-05 00:34:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

1025594520

Òø³æ (³õÈëÎÄ̳)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
Â¥Ö÷£¬µ½µ×Óò»ÓðÑWAVECAR¿½±´½øÈ¥£¬¼±Çó
13Â¥2013-10-28 18:35:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

1025594520

Òø³æ (³õÈëÎÄ̳)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
3Â¥: Originally posted by lascqy at 2011-12-01 22:05:15
Ò²¾ÍÊÇ˵£¬ÎÒÃÇËãÄÜ´øµÄʱºò£¬ÎªÊ²Ã´²»ÓÃ
ISTART=0
ICHARG=11
ÄØ£¿...

¿ÉÒÔÉèÖÃISTART=0
14Â¥2013-10-29 08:48:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

1025594520

Òø³æ (³õÈëÎÄ̳)

ISTART¿ÉÒÔÉèÖÃΪ0£¬WAVECARÔÚÕâ¶ùûÓõÄ
15Â¥2013-10-29 08:50:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zh11111

Òø³æ (ÕýʽдÊÖ)

---

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
10Â¥: Originally posted by lascqy at 2012-03-02 11:38:31
¾­¹ý²âÊÔ·¢ÏÖ£¬Õâ¸ö´íÎó¸úwavecarÎ޹ء££¬£¬Èç¹ûICHARG=2µÄ»°£¬£¬¾Í²»»á³öÏÖÕâ¸ö£¬11µÄ»°£¬ÎÒ²âÊԵĹý³ÌÖоͻá³öÏÖÕâ¸ö£¬¾ßÌåÔ­ÒòÏÖÔÚҲûÓиö¶¨ÂÛ£¬µ«ÊÇÔÚvaspµÄÂÛ̳ÉÏ˵£¬Ö»Òª²»ÊÇÔÚ¼¸ºÎÓÅ»¯µÄʱºò£¬³öÏÖµÄ ...

Çó½Ì£º ±ÈÈçÔÚ¿¼ÂÇ×ÔÐý¹ìµÀñîºÏ¹ý³ÌÖУ¬ÏȽṹÓÅ»¯+×ÔÇ¢¼ÆËãµÃµ½CHGCAR+WAVECAR.Ö®ºó¼ÓÈësoc £¬INCAR:ISIF=3
ISYM=0 NSW=0 ISMEAR=-5 ISTART=1 ICHARG=11 LWAVE=TRUE LCHARG=TRUE NPAR=4 EDIFFG=-1e-2 ISPIN=2 LORBIT=11 LMAXMIX=4 LSORBIT=T LORBMOM=T SAXIS=1 0 0 NBANDS=192 NGXF=120 NGYF=54 NGZF=126.ÆäËûÊäÈëÎļþ²»±ä¡£Êä³ö´íÎóΪ£ºLDA part: xc-table for Ceperly-Alder, standard interpolation
found WAVECAR, reading the header
  number of k-points has changed, file:    39 present:   125
  trying to continue reading WAVECAR, but it might fail
WARNING: stress and forces are not correct
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: small aliasing (wrap around) errors must be expected
FFT: planning ...(           1 )
reading WAVECAR
reading wavefunctions of collinear run, up
ERROR: while reading WAVECAR, plane wave coefficients changed       15319
       15285
Ìáʾ²¨º¯ÊýϵÊý±ä»¯¡£ÓëÖ®ÀàËÆ£¬ÔÚ¼ÆËã¹âѧÐÔÖÊ»òÕß¼ÆËãpartial chargeÐèÒª¶ÁÈ¡ÉÏÒ»²½²¨º¯ÊýʱҲ³öÏÖÕâÖÖ¡®²¨º¯ÊýϵÊý±ä»¯¡¯µ¼ÖÂÈÎÎñÖÕÖ¹µÄ´íÎ󣡳ÏÐÄÇó½ÌÔ­Òò£¡£¡£¡£¡£¡
---
16Â¥2015-06-04 09:09:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÑîÇïsusan

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
16Â¥: Originally posted by zh11111 at 2015-06-04 09:09:09
Çó½Ì£º ±ÈÈçÔÚ¿¼ÂÇ×ÔÐý¹ìµÀñîºÏ¹ý³ÌÖУ¬ÏȽṹÓÅ»¯+×ÔÇ¢¼ÆËãµÃµ½CHGCAR+WAVECAR.Ö®ºó¼ÓÈësoc £¬INCAR:ISIF=3
ISYM=0 NSW=0 ISMEAR=-5 ISTART=1 ICHARG=11 LWAVE=TRUE LCHARG=TRUE NPAR=4 EDIFFG=-1e-2 ISPIN=2 LO ...

ÇëÎʽâ¾öÁË
17Â¥2022-10-16 11:52:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ lascqy µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤×¨Ë¶µ÷¼Á +5 heming3743 2026-03-16 5/250 2026-03-17 14:03 by Ó¸ÒÌ«¼àÍõ¹«¹«
[¿¼ÑÐ] 085601ר˶£¬×Ü·Ö342Çóµ÷¼Á£¬µØÇø²»ÏÞ +3 share_joy 2026-03-16 3/150 2026-03-17 13:41 by houyaoxu
[ÂÛÎÄͶ¸å] ÓÐûÓдóÀз¢Ð¡ÂÛÎÄÄÜ´øÎÒ¸ö¶þ×÷ +3 ÔöÈñ©ÈË 2026-03-17 4/200 2026-03-17 09:26 by xs74101122
[¿¼ÑÐ] 11408 Ò»Ö¾Ô¸Î÷µç£¬277·ÖÇóµ÷¼Á +3 zhouzhen654 2026-03-16 3/150 2026-03-17 07:03 by laoshidan
[¿¼ÑÐ] 0854¿ØÖƹ¤³Ì 359Çóµ÷¼Á ¿É¿çרҵ +3 626776879 2026-03-14 9/450 2026-03-16 17:42 by 626776879
[¿¼ÑÐ] 304Çóµ÷¼Á +5 ËØÄê¼ÀÓï 2026-03-15 5/250 2026-03-16 17:00 by ÎҵĴ¬Îҵĺ£
[¿¼ÑÐ] 311Çóµ÷¼Á +5 26ÑÐ0 2026-03-15 5/250 2026-03-16 16:21 by a²»Ò×
[¿¼ÑÐ] 070303Ò»Ö¾Ô¸Î÷±±´óѧѧ˶310ÕÒµ÷¼Á +5 dÈçÔ¸Éϰ¶ 2026-03-12 8/400 2026-03-16 15:19 by peike
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[¿¼²©] ¶«»ªÀí¹¤´óѧ»¯²Äרҵ26½ì˶ʿ²©Ê¿ÉêÇë +6 zlingli 2026-03-13 6/300 2026-03-15 20:00 by ryzcf
[¿¼ÑÐ] 294Çóµ÷¼Á +3 Zys010410@ 2026-03-13 4/200 2026-03-15 10:59 by zhq0425
[¿¼ÑÐ] 290Çóµ÷¼Á +9 ADT 2026-03-11 9/450 2026-03-13 21:55 by JourneyLucky
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤085600µ÷¼ÁÇóÀÏʦÊÕÁô +9 jiaanl 2026-03-11 9/450 2026-03-13 20:22 by JourneyLucky
[¿¼ÑÐ] ÇóbÇøÑ§Ð£µ÷¼Á +3 ÖÜ56 2026-03-11 3/150 2026-03-13 16:20 by JourneyLucky
[¿¼ÑÐ] 307Çóµ÷¼Á +5 ³¬¼¶ÒÁ°º´óÍõ 2026-03-12 5/250 2026-03-13 15:56 by °ô°ôÇòÊÖ
[¿¼ÑÐ] 289Çóµ÷¼Á +3 ÀîÕþÓ¨ 2026-03-12 3/150 2026-03-13 11:02 by Çóµ÷¼Ázz
[¿¼ÑÐ] Çóµ÷¼Á ×ÊÔ´Óë»·¾³ 285 +3 δÃû¿¼Éú 2026-03-10 3/150 2026-03-13 10:31 by houyaoxu
[¿¼ÑÐ] 08ʳƷ»òÇṤÇóµ÷¼Á£¬±¾¿Æ·¢±í3ƪsciÒ»ÇøtopÂÛÎÄ£¬Ò»Ö¾Ô¸ÄÏʦ´óʳƷ¿ÆÑ§Ó빤³Ì +3 ÎÒÊÇÒ»¸ö±ø£¬ 2026-03-10 3/150 2026-03-13 10:21 by Yuyi.
[¿¼ÑÐ] »¯¹¤Ñ§Ë¶306Çóµ÷¼Á +9 42838695 2026-03-12 9/450 2026-03-13 10:16 by houyaoxu
[¿¼ÑÐ] 283Çóµ÷¼Á£¬²ÄÁÏ¡¢»¯¹¤½Ô¿É +8 ËÕ´òË®7777 2026-03-11 10/500 2026-03-13 09:06 by Linda Hu
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û