Re: [Wien] how to relax atom position in no-collinear wien2k calculation

t; > -原始邮件- > *发件人:* "Laurence Marks" > *发送时间:* 2015年7月31日 星期五 > *收件人:* "A Mailing list for WIEN2k users" > *抄送:* > *主题:* Re: [Wien] how to relax atom position in no-collinear wien2k > calculation > > I believe you have to use the older PORT metho

Re: [Wien] how to relax atom position in no-collinear wien2k calculation

Dear Laurence Marks: Thank you for your advise. Does this mean I can not use this version of NCM to relax atom positions? Best wishes! -原始邮件- 发件人: "Laurence Marks" 发送时间: 2015年7月31日 星期五 收件人: "A Mailing list for WIEN2k users" 抄送: 主题: Re: [Wien] how to relax

Re: [Wien] how to relax atom position in no-collinear wien2k calculation

I believe you have to use the older PORT method, I don't think the newest mixer is in the non-collinear code. --- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University http://www.numis.northwestern.edu Corrosion in 4D http://MURI4D.numis.northwestern.edu