[Wien] Running MPI parrallelization in Wien2k

2010-01-21 Thread Ghosh SUDDHASATTWA
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[Wien] MPI for lapwso

2010-01-21 Thread Md. Fhokrul Islam
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[Wien] warning:you must move the origin.

2010-01-21 Thread 王静
Dear Prof. Blaha and Wien Users, I have met warnings ?you must move the origin (see file case.outputs)? when executed initializations twice. The space group of the two systems I calculated both are P21/n (No.14). For the first system in which a=4.352675 and b=4.348963 the warning disappeared

[Wien] Direction of magnetization in case of Spin Orbit Coupling

2010-01-21 Thread Ghosh SUDDHASATTWA
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