[SIESTA-L] vibra problem

hello siesta user, i am using siesta2.0 in aix parallel machine... i able to compile siesta sussesfully, but when i try to compile the vibra package then the following error comes. mpxlf -c -I../../../Src fcbuild.f "fcbuild.f", line 29.11: 1514-267 (S) The current p

[SIESTA-L] vibra problem

hello siesta users, i am doing some phonon calculations on ptn. but when i run the siesta command then the following error comes "1525-108 Error encountered while attempting to allocate a data object. The program will stop" can anybody tell me what is the error. I also send the required fi

Re: [SIESTA-L] Vibra Problem

On Fri, 28 Jul 2006, bipul rakshit wrote: | hello seista user, | I am doing phonon dispersion calculation of PtN (ZB) with the help of Vibra, | with a mesh cutoff 250 Ry, and monsk_pack=12x12x12 | and | super_cell 1 | super_cell 1 | super_cell 1 | | But it iwill taking too

[SIESTA-L] Vibra Problem

hello seista user, I am doing phonon dispersion calculation of PtN (ZB) with the help of Vibra, with a mesh cutoff 250 Ry, and monsk_pack=12x12x12 and super_cell 1 super_cell 1 super_cell 1 But it iwill taking too much time ( in days) to complete the full calculation. H

Re: [SIESTA-L] Vibra problem

On Tue, 18 Jul 2006, bipul rakshit wrote: | hello siesta user, | | i am facing a problem in using Vibra for PtN calculations. | i got frequencies at gamma point 0.0032 0.0488 0.0540 526.0463 526.0609 526.0764 | | it is correct? Three acoustic frequencies are close enough t

[SIESTA-L] Vibra problem

hello siesta user, i am facing a problem in using Vibra for PtN calculations. i got frequencies at gamma point 0.0032 0.0488 0.0540 526.0463 526.0609 526.0764 it is correct? but when i construct a supercell = 1 in all the three direction. and when i run the siesta co