Dear Fariba, please tune the file Modules/input_parameters.f90: INTEGER, PARAMETER :: nwanx = 50 ! max number of wannier functions
2017-10-17 14:23 GMT+05:00 <[email protected]>: > > Dear Dmitry, > > When the number of wannier functions are more than 100, by reducing this > parameter the wannier_ham.x will run otherwise it will terminated by > error. > I wish to know the optimized value of this parameter for 250 wannier > function in wannier_ham.x input. > > regards > Fariba > > > >> Dear Fariba, >> there is no any relationship between these two parameters. >> >> 2017-10-16 14:40 GMT+05:00 <[email protected]>: >>> >>> Dear All, >>> would you please let me know the relationship between ningx ( "INTEGER, >>> PARAMETER :: ningx = 6 ! max number of trial wavefunction ingredien" in >>> the following f90 file >>> >>> ../../qe-6.1/Modules/wannier_new.f90 >>> >>> with the number of wannier function in the wannier_ham.x input file. >>> >>> >>> Thank you in advance >>> Fariba >>> IASBS >>> >>> >>> -- >>> This message has been scanned for viruses and >>> dangerous content by MailScanner, and is >>> believed to be clean. >>> >>> _______________________________________________ >>> Pw_forum mailing list >>> [email protected] >>> http://pwscf.org/mailman/listinfo/pw_forum >> >> >> >> -- >> С уважением, >> Дмитрий Коротин >> >> Best regards, >> Dr. Dmitry Korotin >> >> Institute of Metal Physics >> S. Kovalevskaya, 18 >> 620990 Yekaterinburg >> Russia >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> -- >> This message has been scanned for viruses and >> dangerous content by MailScanner, and is >> believed to be clean. >> >> > > > > -- > This message has been scanned for viruses and > dangerous content by MailScanner, and is > believed to be clean. > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- С уважением, Дмитрий Коротин Best regards, Dr. Dmitry Korotin Institute of Metal Physics S. Kovalevskaya, 18 620990 Yekaterinburg Russia _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
