elas_cal.sh脚本设置如下: fori in010203#根据生成的数量设置doforj in001002003004005006007008009010011012013do#优化计算cp POS_"$i"_$j.vasp POSCAR cp incar_rlx INCARecho"relax I=$i,J =$j";timempirun -np16vasp_std#静态计算cp CONTCAR POSCAR rm INCAR cp incar_stc INCARecho"static I=$i,J =$...
If you use the code, please cite: L. Lodeiro and T. Rauch: DensityTool: A post-processing tool for space- and spin-resolved density of states from VASP, Computer Physics Communications 277, 108384 (2022),https://doi.org/10.1016/j.cpc.2022.108384 ...
🌱 Vasptools contains general functions like density of state calculations, wavefunction output, and also specific functions that is useful only if you have the same need as me. 📫 How to reach me: post an issue on github. I don't want to get emails. I post every function I developed...
I.HemoFedorovaHemoJ.HemoKovarHemoF.HemoDurajHemoL.HemoClinical and applied thrombosis/hemostasisM. Fedor, M. Samoˇs, R. Sˇimonova´ et al., "Monitoring the effi- cacy of ADP inhibitor treatment in patients with acute STEMI post-PCI by VASP-P flow cytometry assay," Clinical and ...
深潮TechFlow 消息,据 CrowdfundInsider 报道,Bybit附属公司Spark Fintech Limited宣布决定撤回向香港证券及期货事务监察委员会(SFC)提交的虚拟资产服务提供商 (VASP) 牌照申请。 自2024 年 6 月 1 日 00:00 GMT+8 起,Spark Fintech 暂时暂停其香港平台上的所有产品和服务,但客户提款除外。
We introduce a new Python package (pyHMA) that interfaces with VASP to compute (classical) anharmonic properties of crystalline systems by post-processing data from NVT Born–Oppenheimer ab initio molecular dynamics (AIMD) simulation. It is based on the recently developed harmonically mapped averaging...
We present the VASPKIT, a Fortran 90 program that aims at providing a powerful and user-friendly input/output environment toolkit to perform initial setup for calculations and post-processing analysis to derive various material properties from the raw calculated data using the widely-used VASP code....
深潮TechFlow 消息, Ripple 在爱尔兰中央银行 (CBI) 批准该公司作为虚拟资产服务提供商 (VASP)。 Ripple 表示其现已被添加到 CBI 的注册 VASP 名单中,允许该公司在爱尔兰提供某些数字资产服务。 根据CBI VASP 登记册的数据,Ripple 可以代表另一位自然人或法人进行交易,将数字资产从一个地址或账户转移到另一个地址...
求助Te，Sb，S，O，Mo，Co，Zn，Co这些元素的POSTCAR，如有请发邮箱reformlove@163.com，急用！金币...
求助Te，Sb，S，O，Mo，Co，Zn，Co这些元素的POSTCAR，如有请发邮箱reformlove@163.com，急用！金币...