 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 5 | 1/1 | 返回列表 |
| 查看: 2737 | 回復(fù): 9 | |||
| 當(dāng)前只顯示滿足指定條件的回帖，點(diǎn)擊這里查看本話題的所有回帖 | |||
wangzg9292木蟲 (正式寫手)
|
[交流]
【求助成功】vasp 計(jì)算出錯(cuò) 已有2人參與
|
||
|
計(jì)算體系的時(shí)候出現(xiàn) WARNING: PSMAXN for non-local potential too small LDA part: xc-table for Ceperly-Alder, standard interpolation VERY BAD NEWS! internal error in subroutine IBZKPT: VERY BAD NEWS! internal error in subroutine IBZKPT: Reciprocal lattice and k-lattice belong to different class of lattices. 96 Reciprocal lattice and k-lattice belong to different class of lattices. 96 VERY BAD NEWS! internal error in subroutine IBZKPT: Reciprocal lattice and k-lattice belong to different class of lattices. 96 VERY BAD NEWS! internal error in subroutine IBZKPT: Reciprocal lattice and k-lattice belong to different class of lattices. 96 POSCAR, INCAR and KPOINTS ok, starting setup FFT: planning ... 1 reading WAVECAR entering main loop N E dE d eps ncg rms rms(c) hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star 我的KPOINTS Auto-generation 0 Gamma 2 1 2 0 0 0 若是把KPOINTS里面的改為2 2 2或者其他的主要是相等的就不會(huì)出現(xiàn)VERY BAD NEWS! internal error in subroutine IBZKPT: Reciprocal lattice and k-lattice belong to different class of lattices. 96 的K點(diǎn)報(bào)錯(cuò)，但是還會(huì)出現(xiàn) hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star ，若是把INCAR里面設(shè)置了ISYM=0就不會(huì)出現(xiàn) hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star 這樣的錯(cuò)誤了，但是，如果把對(duì)稱性改了，會(huì)不會(huì)計(jì)算結(jié)果很離譜�。科诖呤� 我的POSCAR SYSTEM 1.0 0.000000000000000 6.564499999999999 3.744350000000001 4.389100000000000 0.000000000000000 3.744350000000000 4.389100000000000 6.564500000000000 0.000000000000000 16 4 2 Direct 0.3791999962413683 -0.3817999962484464 0.1587999913608656 0.3002000027336180 -0.0520000034011902 0.0470000035129490 -0.3817999962484464 0.3791999962413683 -0.1561999913537875 -0.0520000034011902 0.3002000027336180 -0.2952000028453767 0.1587999913608656 -0.1561999913537875 0.3791999962413684 0.0470000035129489 -0.2952000028453767 0.3002000027336180 -0.1561999913537875 0.1587999913608656 -0.3817999962484465 -0.2952000028453767 0.0470000035129490 -0.0520000034011902 -0.1291999962413683 0.6317999962484464 0.0912000086391345 -0.0502000027336180 0.3020000034011902 0.2029999964870511 0.6317999962484464 -0.1291999962413684 0.4061999913537875 0.3020000034011902 -0.0502000027336180 0.5452000028453768 0.0912000086391345 0.4061999913537875 -0.1291999962413683 0.2029999964870511 0.5452000028453767 -0.0502000027336180 0.4061999913537874 0.0912000086391344 0.6317999962484465 0.5452000028453767 0.2029999964870509 0.3020000034011903 0.2240000069141388 -0.2240000069141388 0.2240000069141388 -0.2240000069141388 0.2240000069141388 -0.2240000069141388 0.0259999930858612 0.4740000069141387 0.0259999930858612 0.4740000069141387 0.0259999930858612 0.4740000069141388 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.2500000000000000 0.2500000000000000 0.2500000000000000 但是計(jì)算的OSZICAR是可以的，顯示正常，還有就是要是提交后臺(tái)運(yùn)行的話，他會(huì)自動(dòng)終止，出現(xiàn)： N E dE d eps ncg rms rms(c) DAV: 1 0.284985510380E+03 0.28499E+03 -0.13981E+04 328 0.151E+03 p0_30267: p4_error: interrupt SIGx: 1 要是不提交后臺(tái)運(yùn)行，不會(huì)出現(xiàn)這樣的錯(cuò)誤。這事為什么��？期待高手回答 [ Last edited by zzy870720z on 2011-4-28 at 12:49 ] |
回復(fù)此樓» 猜你喜歡
290求調(diào)劑
已經(jīng)有3人回復(fù)
-
求調(diào)劑
已經(jīng)有3人回復(fù)
-
327求調(diào)劑
已經(jīng)有3人回復(fù)
-
085600 286分 材料求調(diào)劑
已經(jīng)有11人回復(fù)
-
一志愿河北工業(yè)大學(xué)0817化工278分求調(diào)劑
已經(jīng)有15人回復(fù)
-
085601材料工程找調(diào)劑
已經(jīng)有15人回復(fù)
-
材料與化工272求調(diào)劑
已經(jīng)有15人回復(fù)
-
南京大學(xué)化學(xué)調(diào)劑
已經(jīng)有14人回復(fù)
-
一志愿北京工業(yè)大學(xué)，324分求調(diào)劑
已經(jīng)有6人回復(fù)
-
求調(diào)劑
已經(jīng)有5人回復(fù)
» 本主題相關(guān)價(jià)值貼推薦，對(duì)您同樣有幫助:
- vasp磁性計(jì)算問題
已經(jīng)有8人回復(fù)
- vasp計(jì)算過渡態(tài)問題
已經(jīng)有13人回復(fù)
- vasp5.2計(jì)算誤差太大
已經(jīng)有11人回復(fù)
- VASP 磁性BerryPhase計(jì)算問題（Berryphase異常大）
已經(jīng)有3人回復(fù)
- VASP計(jì)算：LORBIT設(shè)置出現(xiàn)問題
已經(jīng)有5人回復(fù)
- vasp 并行運(yùn)算出錯(cuò)
已經(jīng)有7人回復(fù)
- vasp計(jì)算靜態(tài)出現(xiàn)錯(cuò)誤！
已經(jīng)有5人回復(fù)
- vasp計(jì)算在進(jìn)行靜態(tài)計(jì)算時(shí)，出錯(cuò)。
已經(jīng)有3人回復(fù)
- 【求助完結(jié)】Linux系統(tǒng)下MS5.5的并行計(jì)算調(diào)度問題
已經(jīng)有12人回復(fù)
- 【求助】vasp計(jì)算出錯(cuò)，不知道問題出在哪里
已經(jīng)有5人回復(fù)
- 【求助】vasp計(jì)算過渡態(tài)結(jié)果出錯(cuò)
已經(jīng)有17人回復(fù)
- 【求助】VASP求助
已經(jīng)有5人回復(fù)
- 【求助】vasp5 光學(xué)計(jì)算結(jié)果問題
已經(jīng)有4人回復(fù)
- 【求助】vasp靜態(tài)計(jì)算能量值錯(cuò)誤
已經(jīng)有21人回復(fù)
- 【求助】VASP進(jìn)行DFT+HF計(jì)算的問題？
已經(jīng)有7人回復(fù)
ufo991
鐵蟲 (正式寫手)
- 1ST強(qiáng)帖: 1
- 應(yīng)助: 0 (幼兒園)
- 金幣: 1148.3
- 散金: 14
- 紅花: 1
- 帖子: 358
- 在線: 104.6小時(shí)
- 蟲號(hào): 671678
- 注冊(cè): 2008-12-10
- 性別: MM
- 專業(yè): 凝聚態(tài)物性I:結(jié)構(gòu)、力學(xué)和
7樓2011-04-03 22:01:37
luxia0210
鐵桿木蟲 (著名寫手)
GG
- 應(yīng)助: 1 (幼兒園)
- 金幣: 6476.2
- 紅花: 6
- 帖子: 1497
- 在線: 329.7小時(shí)
- 蟲號(hào): 877190
- 注冊(cè): 2009-10-19
- 專業(yè): 材料物理化學(xué)
2樓2010-05-05 12:29:52
wangzg9292
木蟲 (正式寫手)
- 應(yīng)助: 0 (幼兒園)
- 金幣: 3933
- 散金: 56
- 帖子: 348
- 在線: 89.6小時(shí)
- 蟲號(hào): 723844
- 注冊(cè): 2009-03-16
- 性別: MM
- 專業(yè): 凝聚態(tài)物性 II ：電子結(jié)構(gòu)
3樓2010-05-05 15:02:20
luxia0210
鐵桿木蟲 (著名寫手)
GG
- 應(yīng)助: 1 (幼兒園)
- 金幣: 6476.2
- 紅花: 6
- 帖子: 1497
- 在線: 329.7小時(shí)
- 蟲號(hào): 877190
- 注冊(cè): 2009-10-19
- 專業(yè): 材料物理化學(xué)
4樓2010-05-05 17:10:59
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考博] 26申博自薦 +6 | whh869393 2026-03-24 | 6/300 |
|
|---|---|---|---|---|
|
|
[碩博家園] 求調(diào)劑 有機(jī)化學(xué)考研356分 +4 | Nadiums 2026-03-25 | 5/250 |
|
|
|
[考研] 一志愿北京化工大學(xué)材料與化工（085600）296求調(diào)劑 +17 | 稻妻小編 2026-03-26 | 17/850 |
|
|
|
[考研] 086000生物與醫(yī)藥調(diào)劑 +5 | Feisty。 2026-03-28 | 9/450 |
|
|
[考研] 材料學(xué)碩333求調(diào)劑 +11 | 北道巷 2026-03-24 | 11/550 |
|
|
|
[考研] 本科雙非材料，跨考一志愿華電085801電氣，283求調(diào)劑，任何專業(yè)都可以 +6 | 芝士雪baoo 2026-03-28 | 8/400 |
|
|
|
[碩博家園] 招收生物學(xué)/細(xì)胞生物學(xué)調(diào)劑 +4 | IceGuo 2026-03-26 | 5/250 |
|
|
|
[考研] 295求調(diào)劑 +4 | wei-5 2026-03-26 | 4/200 |
|
|
|
[考研] 求調(diào)劑 +7 | 爭取九點(diǎn)睡 2026-03-28 | 8/400 |
|
|
|
[考研] 311（085601）求調(diào)劑 +4 | liziyeyeye 2026-03-28 | 4/200 |
|
|
|
[考研] 265求調(diào)劑 +8 | 小木蟲085600 2026-03-27 | 8/400 |
|
|
|
[考研] 07化學(xué)280分求調(diào)劑 +10 | 722865 2026-03-23 | 10/500 |
|
|
|
[考研] 材料調(diào)劑 +8 | 匹克i 2026-03-23 | 8/400 |
|
|
|
[考研] 284求調(diào)劑 +11 | junqihahaha 2026-03-26 | 12/600 |
|
|
|
[考研] 材料科學(xué)與工程 317求調(diào)劑 +4 | JKSOIID 2026-03-26 | 4/200 |
|
|
|
[考研] 296求調(diào)劑 +4 | 汪��？！ 2026-03-25 | 7/350 |
|
|
|
[考研] 【2026考研調(diào)劑】制藥工程 284分 求相關(guān)專業(yè)調(diào)劑名額 +4 | 袁奐奐 2026-03-25 | 8/400 |
|
|
|
[考研] 282求調(diào)劑 +3 | wcq131415 2026-03-24 | 3/150 |
|
|
|
[考研]
 材料考研調(diào)劑生
+3
|
黃粱一夢(mèng)千年 2026-03-24 | 3/150 |
|
|
|
[考研] 335求調(diào)劑 +4 | yuyu宇 2026-03-23 | 5/250 |
|