²é¿´: 2549  |  »Ø¸´: 5

dengwan1993

гæ (³õÈëÎÄ̳)

[ÇóÖú] boltztrap¼ÆËã ÒÑÓÐ1È˲ÎÓë

ÔÚ×öboltztrap¼ÆËãʱ£¬ÎÒ¿´ÓеÄÎÄÏ׻ử³öÈû±´¿ËϵÊýÓë»¯Ñ§ÊÆµÄº¯Êý¹ØÏµÍ¼£¬ÇëÎÊÒ»ÏÂÕâ¸ö»¯Ñ§ÊÆÊÇÔõô²úÉúµÄ£¬¿ÉÒÔ¸øÎÒÏêϸµÄ˵һÏÂÂ𣿻¹ÓÐÔËÐÐÍêx-trans boltztrapÍêºó£¬²úÉúµÄcase.trace_fixdopingΪʲôÊǿյģ¬ÇëÎÊÔÚintransÀïÃæÔõÑùÉèÖ㬲Żᱣ֤Õâ¸öÎļþÀïÃæÊÇÓÐÊý¾ÝµÄ

·¢×ÔСľ³æAndroid¿Í»§¶Ë
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

Boltztrapר¼­

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
2Â¥2016-05-06 09:40:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ljw4010

ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)

Сľ³æ´ÓÍ·ÅɽÌÖ÷

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
Çë¹Ø×¢´ËÌÔÌù http://muchong.com/bbs/taotie.php?action=view&ttid=57485     ÓÐÄãÐèÒªµÄ
²»ÒªËµ»°
3Â¥2016-05-07 21:40:16
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÀԾ

гæ (СÓÐÃûÆø)

¡ï
µ°µ°Ð¡Í¯Ð¬: ½ð±Ò+1, лл²ÎÓë 2016-07-30 22:37:48
²úÉúµÄcase.trace_fixdopingÊǿյġ£
ÎÒ֮ǰҲÓÐÕâÖÖÇé¿ö²úÉú£¬ÎÒÊÇÒòΪÔÚÓÃvasp2boltzת»»ºóÉú³ÉµÄ.structÎļþÀïδÌí¼ÓdopingÕâ¸ö²ÎÊýÉèÖ㬼ÓÉÏÒÔºó¾ÍÓÐÊý¾ÝÊä³ö¡£

vasp2boltz.py²úÉúµÄÊäÈëÎļþÊÇûÓÐdopingµÄ£¬ÐèÒªÊÖ¶¯ÊäÈëÏà¹Ø²ÎÊý¡£
4Â¥2016-05-25 20:17:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

À˺£·ÉÀ¶

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
4Â¥: Originally posted by ÀԾ at 2016-05-25 20:17:53
²úÉúµÄcase.trace_fixdopingÊǿյġ£
ÎÒ֮ǰҲÓÐÕâÖÖÇé¿ö²úÉú£¬ÎÒÊÇÒòΪÔÚÓÃvasp2boltzת»»ºóÉú³ÉµÄ.structÎļþÀïδÌí¼ÓdopingÕâ¸ö²ÎÊýÉèÖ㬼ÓÉÏÒÔºó¾ÍÓÐÊý¾ÝÊä³ö¡£

vasp2boltz.py²úÉúµÄÊäÈëÎļþÊÇûÓÐdopingµÄ ...

ÇëÎʼÓÉϲÎÊý¹Ì¶¨ÔØÁ÷×ÓŨ¶Èºó½øÐмÆËã»ò³öÏÖÈçϱ¨´í£º
Doping corresponds to   0.145074663549368       excess holes per unit cell
Error - Fermi level was not found for doping            1  at temperature
   50.0000000000000     
Error - Fermi level was not found for doping            1  at temperature
   100.000000000000     
Error - Fermi level was not found for doping            1  at temperature
   150.000000000000     

Õâ¸öÒªÈçºÎ½â¾öÄØ£¿
5Â¥2016-07-29 23:06:37
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

msr111111

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
5Â¥: Originally posted by À˺£·ÉÀ¶ at 2016-07-29 23:06:37
ÇëÎʼÓÉϲÎÊý¹Ì¶¨ÔØÁ÷×ÓŨ¶Èºó½øÐмÆËã»ò³öÏÖÈçϱ¨´í£º
Doping corresponds to   0.145074663549368       excess holes per unit cell
Error - Fermi level was not found for doping            1  at ...

ÎÒÒ²Óöµ½ÁËÕâ¸öÎÊÌ⣬ÄúÊÇÔõô½â¾öµÄѽ
ŬÁ¦·Ü¶·£¡
6Â¥2020-08-10 07:24:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ dengwan1993 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[ÕÒ¹¤×÷] ÊÛT0PÒ»ÇøSCIÎÄÕ£¬ÎÒ:8O5.51.O.54,¿ÆÄ¿ÆëÈ«,¿É£«¼± +3 ufgqpyvpi6 2026-07-18 4/200 2026-07-19 20:23 by mxyes0ckns
[»ù½ðÉêÇë] 5¸ö%2F£¬·Ç¹Ì¶¨¶Î22¸ö×Öĸ +11 jaasxulu 2026-07-15 12/600 2026-07-19 20:15 by Áµ³Ç1988
[¿¼ÑÐ] ÊÛT0PÒ»ÇøSCIÎÄÕ£¬ÎÒ:8O5.51.O.54,¿ÆÄ¿ÆëÈ«,¿É£«¼± +4 ufgqpyvpi6 2026-07-18 7/350 2026-07-19 20:10 by mxyes0ckns
[»ù½ðÉêÇë] ÃæÉϵÄË®ºÜÉî +17 ²¼²¼ºÍÒ»¶þ 2026-07-18 22/1100 2026-07-19 20:03 by botar
[˶²©¼ÒÔ°] ÊÛT0PÒ»ÇøSCIÎÄÕ£¬ÎÒ:8O5.51.O.54,¿ÆÄ¿ÆëÈ«,¿É£«¼± +4 ufgqpyvpi6 2026-07-18 5/250 2026-07-19 20:03 by mxyes0ckns
[»ù½ðÉêÇë] Сľ³æÃ»ÂäÁË£¬³ýÁËÆíµ»Ìû×Ó£¬¼¸ºõ¿´²»µ½ÓмÛÖµµÄÌû×Ó +15 botar 2026-07-14 16/800 2026-07-19 18:23 by wowsunflower
[˶²©¼ÒÔ°] ÊÛT0PÒ»ÇøSCIÎÄÕ£¬ÎÒ:8O5.51.O.54,¿ÆÄ¿ÆëÈ«,¿É£«¼± +3 bjm2e4yior 2026-07-18 3/150 2026-07-19 16:43 by 0u3sh5hhfi
[ÂÛÎÄͶ¸å] ÊÛT0PÒ»ÇøSCIÎÄÕ£¬ÎÒ:8O5.51.O.54,¿ÆÄ¿ÆëÈ«,¿É£«¼± +3 ufgqpyvpi6 2026-07-18 6/300 2026-07-19 16:23 by 0u3sh5hhfi
[½Ìʦ֮¼Ò] ÊÛT0PÒ»ÇøSCIÎÄÕ£¬ÎÒ:8O5.51.O.54,¿ÆÄ¿ÆëÈ«,¿É£«¼± +3 ufgqpyvpi6 2026-07-18 6/300 2026-07-19 16:03 by 0u3sh5hhfi
[»ù½ðÉêÇë] ¹úÉç¿ÆÍ¨Ñ¶ÆÀÉó +5 DZˮ¹Ú¾ü123 2026-07-18 6/300 2026-07-19 12:28 by lfy8008
[»ù½ðÉêÇë] ÉúÃü¿ÚC13ÃæÉÏ»áÆÀʱ¼ä +7 luckinging 2026-07-14 11/550 2026-07-17 20:43 by ³æ²·1988
[»ù½ðÉêÇë] ÉúÃü¿ÚÃæÉÏ»áÆÀ½áÊøÁËÂð´ó¼ÒÓÐÖªµÀ½á¹ûÂð£¿ÏÖÔÚ»¹Ã»Óнá¹ûÕý³£²»£¿ +6 ±ÌË®00 2026-07-16 9/450 2026-07-17 15:21 by jaasxulu
[ÂÛÎÄͶ¸å] ͶӢÎÄÆÚ¿¯ÈçºÎ²éÖØ 10+5 ²»ÖªµÀȡʲôÃû× 2026-07-15 6/300 2026-07-17 09:07 by bobvan
[Óлú½»Á÷] ²®°·Éϼ׻ùÇóÖú 100+4 002tmumu 2026-07-14 7/350 2026-07-16 19:47 by 002tmumu
[ÂÛÎÄͶ¸å] ¿ç³ö°æÉçÉÌͶ¸å 20+5 ÄߺÃ520 2026-07-13 5/250 2026-07-16 17:24 by ÎÞÊÓ¾üÍÅ
[»ù½ðÉêÇë] ÉúÉúÃüѧ²¿»áÆÀ +4 wuke100666 2026-07-15 4/200 2026-07-16 00:12 by À²À²Ð¡ÄÝ×Ó
[»ù½ðÉêÇë] H¿Ú£¬ÃæÉÏ£¬Ê±¼ä´Á7ÔÂ7ÈÕ¡£ +3 plumage5 2026-07-15 3/150 2026-07-15 21:06 by 6543yes
[»ù½ðÉêÇë] »áÆÀ +5 ÎÞÃûÕßµÇɽ 2026-07-15 5/250 2026-07-15 18:15 by ¸Ü¾ÍÊÇÄã¶Ô
[»ù½ðÉêÇë] E¿ÚÇàC»áÆÀ½áÊøÁËÂ𣿠40+3 ССÊ鳿c 2026-07-14 9/450 2026-07-15 16:04 by °²¾²µÄÖªÁË
[ÂÛÎÄͶ¸å] ũҵ»úеѧ±¨Í¶¸åÖÜÆÚ +3 G0DLIN 2026-07-14 7/350 2026-07-15 09:26 by xs74101122
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û