Re: [Wien] my membership to the mailing list gets disabled every 3 weeks

Dear Dr Blaha, Same thing is happening to me also. I am not sending any mail from my end. I used to read the mails from the other users.kindly suggest me what to do Regards Rajagopalan Sent from my iPad > On Jan 30, 2017, at 10:34 AM, Peter Blaha > wrote: > > I've nothing changed recently in

[Wien] HI

Dear WIEN users I am doing the total energy calculation for H02O3 The space group is206? and the lattice parameter is 10.63 A? The energy? is not converging even after 90 iteration I used different exchange correlation? and also different mixing I also tried spin polarized calculation also

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Dear Dr Blaha, Greeting from Rajagopalan Chennai? I have a quad core system with 16 GB RAM I am able to run the parallel job in the system When I am trying to plot DOS I face some problem namely the case.vector file is missing If I run with out parallesation I am able to plot Kindly tell me how

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?"gfortran" Your mpi was installed with the gfortran instead of the ifort compiler. PS: With your hardware, I do not think that the mpi-version is of much use. WIEN2k has a k-parallel mode, where you can use all your processors without mpi. Am 15.02.2011 08:09, schrieb Rajagopalan Mat

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Dear Dr .Blaha, ? Greeting from Rajagopalan Chennai India? I have a qurrey? We have purchased a quad core machine with the following configuration ? 43GT Intel mother board CPU 2.63 GHz Ram 8 GB Hard disk drive 500GB ? The OS is SUSE 11.1 ? We also installed ifort9.0 ?compiler and mkl? 8.1.1 ? We