[Wien] convergence
hazem salem
salemhadihazem at yahoo.com
Sun Jul 9 10:43:14 CEST 2006
Dear WIEN usres:
Could someone help me in a convergence perolem? I'm doing relaxation using min_lapw of spin polarized calculations. The forces tend to decrease then startrs a new structure with very high foreces, start to deccrease agin and so forth, so I couldn't solve this problem? how I can let the forces come to convergence?
thank you
hazem
°×Óî <baiyu1982 at ss.buaa.edu.cn> wrote:
Are you trying to caculate a gas through WIEN. According to my limited knowledge,it seems not possible.
Or maybe i am wrong.
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