ISTART VASP : Ni100 surface
SKU: GJD-439618
{{TAGDEF|ISTART|0 {{!}} 1 {{!}} 2|0}}. ISTART = 0 | 1 | 2.
Default: ISTART = 0. When an INCAR-tag has more than one default (a conditional .... - ISTART= 0 New Job. - ISIF = 3 Cell and ions relaxation.
- IBRION= 2 DFT Conjugate Gradient. - NSW = 25 Maximum Optimization steps.
- EDIFF .... Ni100 surface. Based on the three VASP wiki examples in the links 1, 2 and 3.
Task: Perform a relaxation of the first two layers of a Ni (100) surface, .... I performed ml calculations with the vasp_gam version vasp.6.3.2 for an organic molecule.
But I cannot perform test calculation with the ML_ISTART=2 option.. 各位老师大家好我在超算上运行的算例在自己工作站上安装的VASP上运行会出现Error reading item ISTART from file INCAR，但是这个算例在超算上是可以 ....
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