[Wien] (no subject)

2018-05-14 Thread Arvind Kumar
am running these calculation by Wien2k 16.1 version compiled in HP laptop having 8GB RAM and 1 TB harddisk with mkl library with ifort+ icc compiler. thanks & regards, Dr. Arvind Kumar -- Dr. Arvind Kumar Assistant Professor Department of Physics Atma Ram Sanatan Dharma College (University o

[Wien] (no subject)

2018-05-14 Thread Arvind Kumar
top having 8GB RAM and 1 TB harddisk with mkl library with ifort+ icc compiler. thanks & regards, Dr. Arvind Kumar -- Dr. Arvind Kumar Assistant Professor Department of Physics Atma Ram Sanatan Dharma College (University of Delhi) Dhaula Kuan, New Delhi

[Wien] (no subject)

2018-05-11 Thread Arvind Kumar
top having 8GB RAM and 1 TB harddisk with mkl library with ifort+ icc compiler. thanks & regards, Dr. Arvind Kumar -- Dr. Arvind Kumar Assistant Professor Department of Physics Atma Ram Sanatan Dharma College (University of Delhi) Dhaula Kuan, New Delhi

[Wien] (no subject)

2018-05-11 Thread Arvind Kumar
am running these calculation by Wien2k 16.1 version compiled in HP laptop having 8GB RAM and 1 TB harddisk with mkl library with ifort+ icc compiler. thanks & regards, Dr. Arvind Kumar -- Dr. Arvind Kumar Assistant Professor Department of Physics Atma Ram Sanatan Dharma College (University o

[Wien] Problem in volume optimization

2018-05-19 Thread Arvind Kumar
000 RMT=1.8100 Z: 8.000 LOCAL ROT MATRIX:1.000 0.000 0.000 0.000 1.000 0.000 0.000 0.000 1.000 48 NUMBER OF SYMMETRY OPERATIONS -- Dr. Arvind Kumar Assistant Professor Department of Physics Atma

[Wien] Problem in NMR Calculation

2018-06-08 Thread Arvind Kumar
ifort+ cc compiler. Please suggest me accordingly. Thansk & Regards, -- Dr. Arvind Kumar Assistant Professor Department of Physics Atma Ram Sanatan Dharma College (University of Delhi) Dhaula Kuan, New Delhi-110021 ___ Wien mai

[Wien] Regarding Band structure error

2019-06-03 Thread Arvind Kumar
DD2EDC0B97 __libc_start_main Unknown Unknown lapw1c 0040446A Unknown Unknown Unknown 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w error: command /home/arvind/Wien2K/lapw1c lapw1.def failed Please suggest me accordingly. with regards, Dr. Arvind Kumar Assistant

[Wien] Reagarding StructGen in Wien2K19.1

2020-06-03 Thread Arvind Kumar
0.000 0.000 0.000 0.000 0.000 0.000 0 NUMBER OF SYMMETRY OPERATIONS Similar problems, I am facing for other monoclinic structures. Please guide me and suggest me, what I have to do to resolve this. with regards, Arvind -- Dr. Arvind Kumar

[Wien] Reagarding StructGen in Wien2K19.1

2020-06-03 Thread Arvind Kumar
4 Please suggest me. What type of changes, I have required? with regards, Arvind Kumar -- Dr. Arvind Kumar Assistant Professor Department of Physics Atma Ram Sanatan Dharma College (University of Delhi) Dhaula Kuan, New Delhi-110021 ___ Wien