 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 5 | 1/1 | 返回列表 |
| 查看: 2736 | 回復: 9 | |||
| 當前只顯示滿足指定條件的回帖，點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 計算出錯 已有2人參與
|
||
|
計算體系的時候出現(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點報錯，但是還會出現(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里面設置了ISYM=0就不會出現(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 這樣的錯誤了，但是，如果把對稱性改了，會不會計算結果很離譜��？期待高手 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 但是計算的OSZICAR是可以的，顯示正常，還有就是要是提交后臺運行的話，他會自動終止，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 要是不提交后臺運行，不會出現(xiàn)這樣的錯誤。這事為什么�。科诖呤只卮� [ Last edited by zzy870720z on 2011-4-28 at 12:49 ] |
回復此樓» 猜你喜歡
290求調(diào)劑
已經(jīng)有3人回復
-
求調(diào)劑
已經(jīng)有3人回復
-
327求調(diào)劑
已經(jīng)有3人回復
-
085600 286分 材料求調(diào)劑
已經(jīng)有11人回復
-
一志愿河北工業(yè)大學0817化工278分求調(diào)劑
已經(jīng)有15人回復
-
085601材料工程找調(diào)劑
已經(jīng)有15人回復
-
材料與化工272求調(diào)劑
已經(jīng)有15人回復
-
南京大學化學調(diào)劑
已經(jīng)有14人回復
-
一志愿北京工業(yè)大學，324分求調(diào)劑
已經(jīng)有6人回復
-
求調(diào)劑
已經(jīng)有5人回復
» 本主題相關價值貼推薦，對您同樣有幫助:
- vasp磁性計算問題
已經(jīng)有8人回復
- vasp計算過渡態(tài)問題
已經(jīng)有13人回復
- vasp5.2計算誤差太大
已經(jīng)有11人回復
- VASP 磁性BerryPhase計算問題（Berryphase異常大）
已經(jīng)有3人回復
- VASP計算：LORBIT設置出現(xiàn)問題
已經(jīng)有5人回復
- vasp 并行運算出錯
已經(jīng)有7人回復
- vasp計算靜態(tài)出現(xiàn)錯誤！
已經(jīng)有5人回復
- vasp計算在進行靜態(tài)計算時，出錯。
已經(jīng)有3人回復
- 【求助完結】Linux系統(tǒng)下MS5.5的并行計算調(diào)度問題
已經(jīng)有12人回復
- 【求助】vasp計算出錯，不知道問題出在哪里
已經(jīng)有5人回復
- 【求助】vasp計算過渡態(tài)結果出錯
已經(jīng)有17人回復
- 【求助】VASP求助
已經(jīng)有5人回復
- 【求助】vasp5 光學計算結果問題
已經(jīng)有4人回復
- 【求助】vasp靜態(tài)計算能量值錯誤
已經(jīng)有21人回復
- 【求助】VASP進行DFT+HF計算的問題？
已經(jīng)有7人回復
wangzg9292
木蟲 (正式寫手)
- 應助: 0 (幼兒園)
- 金幣: 3933
- 散金: 56
- 帖子: 348
- 在線: 89.6小時
- 蟲號: 723844
- 注冊: 2009-03-16
- 性別: MM
- 專業(yè): 凝聚態(tài)物性 II ：電子結構
3樓2010-05-05 15:02:20
luxia0210
鐵桿木蟲 (著名寫手)
GG
- 應助: 1 (幼兒園)
- 金幣: 6476.2
- 紅花: 6
- 帖子: 1497
- 在線: 329.7小時
- 蟲號: 877190
- 注冊: 2009-10-19
- 專業(yè): 材料物理化學
2樓2010-05-05 12:29:52
luxia0210
鐵桿木蟲 (著名寫手)
GG
- 應助: 1 (幼兒園)
- 金幣: 6476.2
- 紅花: 6
- 帖子: 1497
- 在線: 329.7小時
- 蟲號: 877190
- 注冊: 2009-10-19
- 專業(yè): 材料物理化學
4樓2010-05-05 17:10:59
wangzg9292
木蟲 (正式寫手)
- 應助: 0 (幼兒園)
- 金幣: 3933
- 散金: 56
- 帖子: 348
- 在線: 89.6小時
- 蟲號: 723844
- 注冊: 2009-03-16
- 性別: MM
- 專業(yè): 凝聚態(tài)物性 II ：電子結構
5樓2010-05-05 19:09:58
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 一志愿華東師范大學有機化學專業(yè)，初試351分，復試被刷求調(diào)劑! +5 | 真名有冰 2026-03-29 | 6/300 |
|
|---|---|---|---|---|
|
[考研] 343求調(diào)劑 +6 | 愛羈絆 2026-03-29 | 6/300 |
|
|
|
[考研] 085600，專業(yè)課化工原理，321分求調(diào)劑 +5 | 大饞小子 2026-03-28 | 5/250 |
|
|
|
[考研] 347求調(diào)劑 +3 | 山頂見α 2026-03-25 | 3/150 |
|
|
|
[考研] 322求調(diào)劑 +5 | 舊吢 2026-03-24 | 5/250 |
|
|
|
[考研] 266分，求材料冶金能源化工等調(diào)劑 +7 | 哇呼哼呼哼 2026-03-27 | 9/450 |
|
|
|
[考研] 291求調(diào)劑 +6 | HanBeiNingZC 2026-03-24 | 6/300 |
|
|
|
[考研] 265求調(diào)劑11408 +3 | 劉小鹿lu 2026-03-27 | 3/150 |
|
|
|
[考研] 266分求材料化工冶金礦業(yè)等專業(yè)的調(diào)劑 +4 | 哇呼哼呼哼 2026-03-26 | 4/200 |
|
|
|
[考研]
 一志愿 西北大學 總分282 英語一62 求調(diào)劑
+7
|
18419759900 2026-03-25 | 8/400 |
|
|
|
[考研] 安徽大學專碩生物與醫(yī)藥專業(yè)(086000)324分，英語已過四六級，六級521，求調(diào)劑 +4 | 美味可樂雞翅 2026-03-26 | 4/200 |
|
|
|
[考研] 279 分 求調(diào)劑 +4 | 睡個好覺_16 2026-03-24 | 4/200 |
|
|
|
[考研] 化學308分求調(diào)劑 +8 | 你好明天你好 2026-03-23 | 9/450 |
|
|
|
[考研] 085601 材料工程 313分 求調(diào)劑 +5 | Ong3 2026-03-27 | 5/250 |
|
|
|
[考研] 考研調(diào)劑 +10 | 呼呼？~+123456 2026-03-24 | 10/500 |
|
|
|
[考研] 調(diào)劑推薦 +5 | 清酒714 2026-03-26 | 6/300 |
|
|
|
[考研] 求調(diào)劑，一志愿 南京航空航天大學大學 ，080500材料科學與工程學碩 +4 | @taotao 2026-03-26 | 5/250 |
|
|
|
[考研] 317求調(diào)劑 +7 | 蛋黃咸肉粽 2026-03-26 | 7/350 |
|
|
|
[考研] 081200-11408-276學碩求調(diào)劑 +3 | 崔wj 2026-03-26 | 3/150 |
|
|
|
[考研] 考研一志愿蘇州大學初始315（英一）求調(diào)劑 +3 | sbdksD 2026-03-24 | 4/200 |
|