| 5 | 1/1 | 返回列表 |
| 查看: 577 | 回復(fù): 3 | |||
| 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 | |||
[交流]
【求助】下面的建議和警告該怎么解決。
|
|||
|
The output (if any) follows: running on 16 nodes distr: one band on 1 nodes, 16 groups vasp.5.2.2 15Apr09 complex POSCAR found : 2 types and 26 ions ----------------------------------------------------------------------------- | | | ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE ...): | | | | You have a (more or less) 'large supercell' and for larger cells | | it might be more efficient to use real space projection operators | | So try LREAL= Auto in the INCAR file. | | Mind: If you want to do a very accurate calculations keep the | | reciprocal projection scheme (i.e. LREAL=.FALSE.) | | | ----------------------------------------------------------------------------- LDA part: xc-table for Ceperly-Alder, standard interpolation POSCAR, INCAR and KPOINTS ok, starting setup WARNING: small aliasing (wrap around) errors must be expected FFT: planning ...( 1 ) reading WAVECAR entering main loop N E dE d eps ncg rms rms(c) DAV: 1 0.624821410432E+03 0.62482E+03 -0.33936E+04 1024 0.891E+02 DAV: 2 -0.120265658945E+03 -0.74509E+03 -0.69600E+03 1200 0.213E+02 DAV: 3 -0.261028406028E+03 -0.14076E+03 -0.13417E+03 960 0.100E+02 DAV: 4 -0.266985920669E+03 -0.59575E+01 -0.59122E+01 976 0.257E+01 DAV: 5 -0.267136147833E+03 -0.15023E+00 -0.14996E+00 1136 0.400E+00 0.203E+01 DAV: 6 -0.253330384109E+03 0.13806E+02 -0.14379E+01 944 0.119E+01 0.104E+01 DAV: 7 -0.248543900662E+03 0.47865E+01 -0.14658E+01 960 0.122E+01 0.242E+00 DAV: 8 -0.248472427743E+03 0.71473E-01 -0.47866E-01 1056 0.431E+00 0.165E+00 DAV: 9 -0.248372385894E+03 0.10004E+00 -0.14964E-01 944 0.194E+00 0.342E-01 DAV: 10 -0.248357861624E+03 0.14524E-01 -0.40067E-02 992 0.705E-01 0.222E-01 DAV: 11 -0.248351522632E+03 0.63390E-02 -0.10831E-02 1008 0.319E-01 0.147E-01 DAV: 12 -0.248350159602E+03 0.13630E-02 -0.36053E-03 928 0.172E-01 0.819E-02 DAV: 13 -0.248349979062E+03 0.18054E-03 -0.33932E-03 848 0.141E-01 0.538E-02 DAV: 14 -0.248355007185E+03 -0.50281E-02 -0.12220E-03 816 0.806E-02 0.267E-02 DAV: 15 -0.248357979462E+03 -0.29723E-02 -0.24895E-04 720 0.364E-02 0.199E-02 DAV: 16 -0.248362678200E+03 -0.46987E-02 -0.63509E-04 784 0.519E-02 0.107E-02 DAV: 17 -0.248363868947E+03 -0.11907E-02 -0.69271E-05 688 0.217E-02 0.584E-03 DAV: 18 -0.248364746086E+03 -0.87714E-03 -0.62323E-05 576 0.170E-02 0.303E-03 DAV: 19 -0.248364907035E+03 -0.16095E-03 -0.13417E-05 672 0.101E-02 0.165E-03 DAV: 20 -0.248364980838E+03 -0.73803E-04 -0.49774E-06 576 0.606E-03 1 F= -.24836498E+03 E0= -.24834872E+03 d E =-.325118E-01 writing wavefunctions FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP FORTRAN STOP |
» 搶金幣啦!回帖就可以得到:
+1/185
+1/89
+1/87
+1/85
+2/56
+2/54
+1/49
+1/40
+1/33
+1/30
+1/19
+1/16
+1/9
+1/5
+1/2
+2/2
+1/2
+1/1
+1/1
+1/1
榮譽(yù)版主 (知名作家)
| 設(shè)置LREAL = Auto |
榮譽(yù)版主 (知名作家)
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] A區(qū)線材料學(xué)調(diào)劑 +4 | 周周無極 2026-03-20 | 4/200 |
|
|---|---|---|---|---|
|
[考研] 一志愿北京化工大學(xué)0703化學(xué)318分,有科研經(jīng)歷,求調(diào)劑 +4 | 一瓶苯甲酸 2026-03-14 | 4/200 |
|
|
[考研] 261求B區(qū)調(diào)劑,科研經(jīng)歷豐富 +3 | 牛奶很忙 2026-03-20 | 4/200 |
|
|
[考研] 299求調(diào)劑 +3 | shxchem 2026-03-20 | 4/200 |
|
|
[考研] 22408 344分 求調(diào)劑 一志愿 華電計算機(jī)技術(shù) +3 | solanXXX 2026-03-20 | 3/150 |
|
|
[考研] 08工學(xué)調(diào)劑 +5 | 用戶573181 2026-03-20 | 5/250 |
|
|
[考研] 能源材料化學(xué)課題組招收碩士研究生8-10名 +5 | 脫穎而出 2026-03-16 | 14/700 |
|
|
[考研] 材料學(xué)碩318求調(diào)劑 +5 | February_Feb 2026-03-19 | 5/250 |
|
|
[考研] 一志愿蘇州大學(xué)材料求調(diào)劑,總分315(英一) +3 | sbdksD 2026-03-19 | 3/150 |
|
|
[考研] 085601材料工程專碩求調(diào)劑 +10 | 慕寒mio 2026-03-16 | 10/500 |
|
|
[考研] 328求調(diào)劑,英語六級551,有科研經(jīng)歷 +4 | 生物工程調(diào)劑 2026-03-16 | 12/600 |
|
|
[考研] 332求調(diào)劑 +3 | ydfyh 2026-03-17 | 3/150 |
|
|
[考研] 0703化學(xué)調(diào)劑,求各位老師收留 +10 | 秋有木北 2026-03-14 | 10/500 |
|
|
[考研] 304求調(diào)劑 +6 | 司空. 2026-03-18 | 6/300 |
|
|
[考研] 302求調(diào)劑 +10 | 呼呼呼。。。。 2026-03-17 | 10/500 |
|
|
[考研]
|
胡辣湯放糖 2026-03-15 | 6/300 |
|
|
[碩博家園] 湖北工業(yè)大學(xué) 生命科學(xué)與健康學(xué)院-課題組招收2026級食品/生物方向碩士 +3 | 1喜春8 2026-03-17 | 5/250 |
|
|
[考研] 材料工程專碩274一志愿211求調(diào)劑 +6 | 薛云鵬 2026-03-15 | 6/300 |
|
|
[考研] 070305求調(diào)劑 +3 | mlpqaz03 2026-03-14 | 4/200 |
|
|
[考研] 中科大材料與化工319求調(diào)劑 +3 | 孟鑫材料 2026-03-14 | 3/150 |
|