| 查看: 721 | 回复: 1 | |||
hit_yu铁虫 (初入文坛)
|
[求助]
在用HSE,vasp总是没有运行结果. 已有1人参与
|
|
我的INCAR ISTART=1;ICHARG=2 GGA=PE; ENCUT=450 NBANDS=100 ISMEAR=0;SIGMA=0.1 PREC=Accurate LHFCALC=.TRUE. HFSCREEN=0.2 ALGO=Damped TIME=0.4 running on 1 nodes distr: one band on 1 nodes, 1 groups vasp.5.2.2 15Apr09 complex POSCAR found type information on POSCAR Zn O POSCAR found : 2 types and 8 ions LDA part: xc-table for Pade appr. of Perdew found WAVECAR, reading the header number of bands has changed, file: 43 present: 100 trying to continue reading WAVECAR, but it might fail POSCAR, INCAR and KPOINTS ok, starting setup FFT: planning ...( 1 ) reading WAVECAR random initialization beyond band 44 the WAVECAR file was read sucessfully initial charge from wavefunction entering main loop N E dE d eps ncg rms ort 然后就一直卡在这里 请问有没有人知道是怎么回事阿? |
回复此楼» 猜你喜欢
球磨粉体时遇到了大的问题，请指教！
已经有15人回复
-
过年走亲戚时感受到了所开私家车的鄙视链
已经有5人回复
-
情人节自我反思：在爱情中有过遗憾吗？
已经有5人回复
-
江汉大学解明教授课题组招博士研究生/博士后
已经有3人回复
2楼2016-01-23 17:31:29