Re: [SIESTA-L] Software for cluster coordinates

2017-05-03 Por tôpico AAKANKSHA SUD
You can use VNL by quantumwise. Hope it helps. Regards, Aakanksha On 5/2/17, Ahmad Ali wrote: > hello all, > If Anyone know the software that can be used to generate atomic coordinates > of nano-cluster. e.g. GaAs. suggest me please. >

Re: [SIESTA-L] Software for cluster coordinates

2017-05-03 Por tôpico Максим Арсентьев
vesta 2017-05-02 10:34 GMT+04:00 Ahmad Ali : > hello all, > If Anyone know the software that can be used to generate atomic > coordinates of nano-cluster. e.g. GaAs. suggest me please. > -- Best wishes, Maxim Arsent'ev, Ph.D. (Chemistry) Laboratory of research of

Re: [SIESTA-L] Software for cluster coordinates

2017-05-03 Por tôpico Karolina Milowska
Dear Ahmad, I would recommend Gabedit and VNL-ATK. Best, Karolina 2017-05-02 8:34 GMT+02:00 Ahmad Ali : > hello all, > If Anyone know the software that can be used to generate atomic > coordinates of nano-cluster. e.g. GaAs. suggest me please. >

Re: [SIESTA-L] Software for cluster coordinates

2017-05-03 Por tôpico Максим Арсентьев
http://jp-minerals.org/vesta/en/ 2017-05-03 0:02 GMT+04:00 Максим Арсентьев : > vesta > > 2017-05-02 10:34 GMT+04:00 Ahmad Ali : > >> hello all, >> If Anyone know the software that can be used to generate atomic >> coordinates of nano-cluster. e.g.

Re: [SIESTA-L] structure optimization

2017-05-03 Por tôpico Sunetra Das
The results came out to be the same even after using a less stricter convergence criteria. Thank you all for helping. Regards, Sunetra. On 16 April 2017 at 03:18, berna uyanık wrote: > May be, decreasing value of MaxForceTol helps. > > 2017-04-14 23:17 GMT+03:00