项目作者: allenerocha

项目描述 :
Python script (command line executable) to take Quantum ESPRESSO pw.x vc-relax output (example: Si.Fd-3m.vc-relax.out) and generate VASP POSCAR file named [element].[symmetry group].POSCAR.VASP in file format below, converting vc-relax output alat from Bohr to Angstrom (multiply by 0.529177)
高级语言: Python
项目地址: git://github.com/allenerocha/PWSCFOutputToPOSCAR.git
创建时间: 2019-09-20T00:01:42Z
项目社区:https://github.com/allenerocha/PWSCFOutputToPOSCAR

开源协议:GNU General Public License v3.0

下载