Re: [SIESTA-L] How to Use CG without changing cell ?

Dear Chen, try to use MD.VariableCell .false. yours, Paulo Piquini 2005/5/9, Li-Ger Chen <[EMAIL PROTECTED]>: > Dear All : > >I have done some simulation of transition metal dimer . The > conclusion is good when using semicore configuration . But a cruel > problem was rasing : the ce

[SIESTA-L] How to Use CG without changing cell ?

Dear All : I have done some simulation of transition metal dimer . The conclusion is good when using semicore configuration . But a cruel problem was rasing : the cell was keeping bigger !! for example , the Nb dimer , initially I set cell be 15*15*15 Ang, that used 108 MB memory ; then when